{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Parsing SwissLipids into a network for LipiNet"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import lipinet.databases  # Import the module\n",
    "import importlib\n",
    "\n",
    "# Reload the module to ensure changes are picked up\n",
    "importlib.reload(lipinet)\n",
    "\n",
    "# Now can use the functions after reloading the module\n",
    "from lipinet.databases import get_prior_knowledge\n",
    "from lipinet.utils import split_and_expand_large, create_nodedf_from_edgedf, check_for_split_characters\n",
    "\n",
    "import pandas as pd"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Parsing the manual way\n",
    "\n",
    "LipiNet offers conventient functions to parse prior knowledge resources straight into networks. But to show what is happening behind the scenes, this notebook goes through the data and each of the steps. Which may also be particularly helpful to you if you need to customise the networks in a way that is not yet supported by LipiNet directly. "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "File found locally at /Users/agjanyunlu/Documents/Metabolomics/lipinet/lipinet/.data/downloaded/swisslipids_lipids.tsv. Loading data...\n",
      "Before cleaning, number of values in lipid class column with trailing space: Lipid class*\n",
      "False    779171\n",
      "True         76\n",
      "Name: count, dtype: int64\n",
      "After cleaning, number of values in lipid class column with trailing space: Lipid class*\n",
      "False    779247\n",
      "Name: count, dtype: int64\n"
     ]
    },
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        [
         "15",
         "SLM:000000140",
         "Isomeric subspecies",
         "(25R)-Delta(7)-dafachronate",
         null,
         null,
         "SLM:000501306",
         null,
         null,
         "[H][C@@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC[C@@H](C)C([O-])=O)[C@@]1(C)CCC(=O)C2",
         "InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/p-1/t17-,18-,19+,22-,23+,24+,26+,27-/m1/s1",
         "InChIKey=SQTAVUCHOVVOFD-QAIVWSEESA-M",
         "C27H41O3",
         "-1.0",
         "413.623",
         "414.313395",
         "414.312847",
         "415.320672",
         "453.276553",
         "437.302616",
         "421.328851",
         "432.347221",
         "449.282796",
         "449.282796",
         "473.327248",
         "71569",
         "LMST04030218",
         null,
         "MNXM170106",
         null
        ],
        [
         "16",
         "SLM:000000141",
         "Isomeric subspecies",
         "trans-hexadec-2-enal",
         null,
         null,
         "SLM:000508824",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17585",
         null,
         "HMDB60482",
         null,
         "22385963 | 22633490 | 22784711 | 31916624"
        ],
        [
         "17",
         "SLM:000000147",
         "Isomeric subspecies",
         "N-(9Z-octadecenoyl)-ethanolamine",
         "NAE (18:1(9Z))",
         "(9Z-octadecenoyl)-ethanolamide | N-(9Z-octadecenoyl) ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCCCC\\C=C/CCCCCCCC(=O)NCCO",
         "InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",
         "InChIKey=BOWVQLFMWHZBEF-KTKRTIGZSA-N",
         "C20H39NO2",
         "0.0",
         "325.5292",
         "325.29808",
         "325.297531",
         "326.305356",
         "364.261238",
         "348.287301",
         "332.313535",
         "343.331905",
         "324.290803",
         "360.267481",
         "384.311932",
         "71466",
         null,
         "HMDB02088",
         "MNXM107386",
         "14634025 | 16527816 | 17015445 | 17626977 | 17655883 | 18227059 | 21562563 | 25596343 | 27637550"
        ],
        [
         "18",
         "SLM:000000149",
         "Isomeric subspecies",
         "N-hexadecanoyl-ethanolamine",
         "NAE (16:0)",
         "hexadecanoyl-ethanolamide | N-hexadecanoyl ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCCCCCCCCCCCC(=O)NCCO",
         "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",
         "InChIKey=HXYVTAGFYLMHSO-UHFFFAOYSA-N",
         "C18H37NO2",
         "0.0",
         "299.4919",
         "299.282429",
         "299.281881",
         "300.289706",
         "338.245588",
         "322.271651",
         "306.297885",
         "317.316255",
         "298.275153",
         "334.251831",
         "358.296282",
         "71464",
         null,
         "HMDB02100",
         "MNXM107548",
         "12824167 | 14634025 | 15655246 | 15760304 | 16527816 | 17015445 | 17655883 | 18227059 | 21562563 | 21801852 | 22825852 | 25423491 | 25596343 | 27637550"
        ],
        [
         "19",
         "SLM:000000178",
         "Isomeric subspecies",
         "N-(docosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/22:0)",
         "Ceramide (iso-d17:1(4E)/22:0) | N-docosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392021",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1",
         "InChIKey=XMCZTIGIXKXPGG-KNEGYRQWSA-N",
         "C39H77NO3",
         "0.0",
         "608.0336",
         "607.590345",
         "607.589797",
         "608.597622",
         "646.553504",
         "630.579566",
         "614.605801",
         "625.624171",
         "606.583069",
         "642.559747",
         "666.604198",
         "71377",
         null,
         null,
         "MNXM107026",
         "19372430"
        ],
        [
         "20",
         "SLM:000000179",
         "Isomeric subspecies",
         "N-(heneicosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/21:0)",
         "Ceramide (iso-d17:1(4E)/21:0) | N-henicosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392020",
         "SLM:000001207 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C38H75NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-38(42)39-36(34-40)37(41)32-29-26-23-20-18-19-22-25-28-31-35(2)3/h29,32,35-37,40-41H,4-28,30-31,33-34H2,1-3H3,(H,39,42)/b32-29+/t36-,37+/m0/s1",
         "InChIKey=XTOGDASSFFGCNZ-DXPOGGQJSA-N",
         "C38H75NO3",
         "0.0",
         "594.007",
         "593.574695",
         "593.574147",
         "594.581972",
         "632.537854",
         "616.563916",
         "600.590151",
         "611.608521",
         "592.567419",
         "628.544097",
         "652.588548",
         "71375",
         null,
         null,
         "MNXM107036",
         "19372430"
        ],
        [
         "21",
         "SLM:000000180",
         "Isomeric subspecies",
         "N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/21:0-2OH)",
         "N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphingosine",
         "SLM:000000002",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C38H75NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-37(42)38(43)39-35(33-40)36(41)31-28-25-22-20-17-18-21-24-27-30-34(2)3/h28,31,34-37,40-42H,4-27,29-30,32-33H2,1-3H3,(H,39,43)/b31-28+/t35-,36+,37?/m0/s1",
         "MOSGEDXWYQEHCU-UGRYJNRPSA-N",
         "C38H75NO4",
         "0.0",
         "610.0064",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "71378",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "22",
         "SLM:000000181",
         "Isomeric subspecies",
         "N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/22:0-2OH)",
         "N-(2-hydroxydocosanoyl)-15-methylhexadecasphingosine",
         "SLM:000000002",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C39H77NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-38(43)39(44)40-36(34-41)37(42)32-29-26-23-21-18-19-22-25-28-31-35(2)3/h29,32,35-38,41-43H,4-28,30-31,33-34H2,1-3H3,(H,40,44)/b32-29+/t36-,37+,38?/m0/s1",
         "HAYSYAZWAREGTL-RUOQPURXSA-N",
         "C39H77NO4",
         "0.0",
         "624.033",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "71380",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "23",
         "SLM:000000182",
         "Isomeric subspecies",
         "N-(tetracosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/24:0)",
         "Ceramide (iso-d17:1(4E)/24:0) | N-tetracosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392028",
         "SLM:000000414 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C41H81NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-21-22-25-28-31-34-38(2)3/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t39-,40+/m0/s1",
         "InChIKey=TVDHQFWAJSGJQN-KBONVYKJSA-N",
         "C41H81NO3",
         "0.0",
         "636.0867",
         "635.621646",
         "635.621097",
         "636.628922",
         "674.584804",
         "658.610867",
         "642.637101",
         "653.655471",
         "634.614369",
         "670.591047",
         "694.635498",
         "71381",
         null,
         null,
         "MNXM107141",
         "19372430"
        ],
        [
         "24",
         "SLM:000000183",
         "Isomeric subspecies",
         "N-(hexacosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/26:0)",
         "Ceramide (iso-d17:1(4E)/26:0) | N-hexacosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392033",
         "SLM:000000539 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C43H85NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-43(47)44-41(39-45)42(46)37-34-31-28-25-23-24-27-30-33-36-40(2)3/h34,37,40-42,45-46H,4-33,35-36,38-39H2,1-3H3,(H,44,47)/b37-34+/t41-,42+/m0/s1",
         "InChIKey=NPJDYKPLWLEWOS-KTSAFCHVSA-N",
         "C43H85NO3",
         "0.0",
         "664.1399",
         "663.652946",
         "663.652397",
         "664.660222",
         "702.616104",
         "686.642167",
         "670.668401",
         "681.686771",
         "662.645669",
         "698.622347",
         "722.666799",
         "71385",
         null,
         null,
         "MNXM107064",
         "19372430"
        ],
        [
         "25",
         "SLM:000000184",
         "Isomeric subspecies",
         "N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/26:0-2OH)",
         "N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphingosine",
         "SLM:000000002",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C43H85NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-42(47)43(48)44-40(38-45)41(46)36-33-30-27-25-22-23-26-29-32-35-39(2)3/h33,36,39-42,45-47H,4-32,34-35,37-38H2,1-3H3,(H,44,48)/b36-33+/t40-,41+,42?/m0/s1",
         "FUNPOLWNRXNQQY-JBSSLLGASA-N",
         "C43H85NO4",
         "0.0",
         "680.1393",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "71388",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "26",
         "SLM:000000185",
         "Isomeric subspecies",
         "N-(hexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SM(iso-d17:1(4E)/26:0)",
         "N-hexacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine | Sphingomyelin (iso-d17:1(4E)/26:0)",
         "SLM:000000007",
         "SLM:000394465",
         "SLM:000000539 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C48H97N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-28-26-27-30-33-36-39-45(2)3/h37,40,45-47,51H,7-36,38-39,41-44H2,1-6H3,(H-,49,52,53,54)/b40-37+/t46-,47+/m0/s1",
         "InChIKey=JWWVBMRNPGAKSM-LWQSKWNHSA-N",
         "C48H97N2O6P",
         "0.0",
         "829.2673",
         "828.708425",
         "828.707877",
         "829.715702",
         "867.671584",
         "851.697646",
         "835.723881",
         "846.742251",
         null,
         "863.677827",
         "887.722278",
         "70938",
         null,
         null,
         "MNXM107065",
         "19372430"
        ],
        [
         "27",
         "SLM:000000186",
         null,
         "N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000007",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C49H99N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-32-35-38-41-48(53)49(54)50-46(44-58-59(55,56)57-43-42-51(4,5)6)47(52)40-37-34-31-29-26-27-30-33-36-39-45(2)3/h37,40,45-48,52-53H,7-36,38-39,41-44H2,1-6H3,(H-,50,54,55,56)/b40-37+/t46-,47+,48?/m0/s1",
         "HTFJKCHLCKQTKC-IVNVYFSQSA-N",
         "C49H99N2O7P",
         "0.0",
         "859.2933",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70951",
         null,
         null,
         null,
         null
        ],
        [
         "28",
         "SLM:000000187",
         null,
         "N-2-hydroxy-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000007",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C43H87N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-42(47)43(48)44-40(38-52-53(49,50)51-37-36-45(4,5)6)41(46)34-31-28-25-23-20-21-24-27-30-33-39(2)3/h31,34,39-42,46-47H,7-30,32-33,35-38H2,1-6H3,(H-,44,48,49,50)/b34-31+/t40-,41+,42?/m0/s1",
         "APDOHCXNXAIUDD-SNEAHRROSA-N",
         "C43H87N2O7P",
         "0.0",
         "775.1338",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70911",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "29",
         "SLM:000000188",
         null,
         "N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000007",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C44H89N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-43(48)44(49)45-41(39-53-54(50,51)52-38-37-46(4,5)6)42(47)35-32-29-26-24-21-22-25-28-31-34-40(2)3/h32,35,40-43,47-48H,7-31,33-34,36-39H2,1-6H3,(H-,45,49,50,51)/b35-32+/t41-,42+,43?/m0/s1",
         "NFVVZIPOGASQNY-LDQOJZKOSA-N",
         "C44H89N2O7P",
         "0.0",
         "789.1604",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70918",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "30",
         "SLM:000000189",
         null,
         "N-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine",
         null,
         null,
         "SLM:000000264",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C",
         "InChI=1S/C43H89N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(47)43(49)44-39(37-53-54(50,51)52-36-35-45(4,5)6)42(48)40(46)33-30-27-24-22-21-23-26-29-32-38(2)3/h38-42,46-48H,7-37H2,1-6H3,(H-,44,49,50,51)/t39-,40+,41?,42-/m0/s1",
         "SSSWELGGYPDTBY-DGJMNPOFSA-N",
         "C43H89N2O8P",
         "0.0",
         "793.1491",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70920",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "31",
         "SLM:000000190",
         "Isomeric subspecies",
         "N-(2-hydroxytetracosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/24:0-2OH)",
         "N-(2-hydroxytetracosanoyl)-15-methylhexadecasphingosine",
         "SLM:000000002",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C41H81NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-40(45)41(46)42-38(36-43)39(44)34-31-28-25-23-20-21-24-27-30-33-37(2)3/h31,34,37-40,43-45H,4-30,32-33,35-36H2,1-3H3,(H,42,46)/b34-31+/t38-,39+,40?/m0/s1",
         "AQFSCZQHGPCOII-XFNILPMGSA-N",
         "C41H81NO4",
         "0.0",
         "652.0861",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "71384",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "32",
         "SLM:000000191",
         "Isomeric subspecies",
         "N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/25:0-2OH)",
         "N-(2-hydroxypentacosanoyl)-15-methylhexadecasphingosine",
         "SLM:000000002",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C42H83NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-41(46)42(47)43-39(37-44)40(45)35-32-29-26-24-21-22-25-28-31-34-38(2)3/h32,35,38-41,44-46H,4-31,33-34,36-37H2,1-3H3,(H,43,47)/b35-32+/t39-,40+,41?/m0/s1",
         "DNHYUZGAHLGOLG-FTDUBDKJSA-N",
         "C42H83NO4",
         "0.0",
         "666.1127",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "71386",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "33",
         "SLM:000000193",
         "Isomeric subspecies",
         "5alpha-cholest-7-en-3beta-ol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2",
         "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=IZVFFXVYBHFIHY-QLJXJWEDSA-N",
         "C27H46O",
         "0.0",
         "386.664",
         "386.354866",
         "386.354318",
         "387.362143",
         "425.318024",
         "409.344087",
         "393.370322",
         "404.388692",
         "385.34759",
         "421.324267",
         "445.368719",
         "17168",
         "LMST01010089",
         "HMDB01170",
         "MNXM810",
         "10344195 | 10786622 | 12133002 | 21813643 | 22505847 | 8798407 | 9894009"
        ],
        [
         "34",
         "SLM:000000194",
         "Isomeric subspecies",
         "4alpha-methyl-5alpha-cholest-8(14)-en-3beta-ol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]1(CCC2=C3CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C",
         "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,25+,26+,27-,28+/m1/s1",
         "InChIKey=UIPYFONRKZTOIY-GQZGFCDBSA-N",
         "C28H48O",
         "0.0",
         "400.691",
         "400.370516",
         "400.369968",
         "401.377793",
         "439.333674",
         "423.359737",
         "407.385972",
         "418.404342",
         "435.339917",
         "435.339917",
         "459.384369",
         "71581",
         null,
         null,
         "MNXM101996",
         "19531354"
        ],
        [
         "35",
         "SLM:000000195",
         "Isomeric subspecies",
         "4?-methyl-5?-cholest-7-en-3?-ol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C",
         "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1",
         "InChIKey=LMYZQUNLYGJIHI-SPONXPENSA-N",
         "C28H48O",
         "0.0",
         "400.691",
         "400.370516",
         "400.369968",
         "401.377793",
         "439.333674",
         "423.359737",
         "407.385972",
         "418.404342",
         "435.339917",
         "435.339917",
         "459.384369",
         "18378",
         "LMST01010094",
         "HMDB11605",
         "MNXM4375",
         null
        ],
        [
         "36",
         "SLM:000000196",
         "Isomeric subspecies",
         "N-(heneicosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SM(iso-d17:1(4E)/21:0)",
         "N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine | Sphingomyelin (iso-d17:1(4E)/21:0)",
         "SLM:000000007",
         "SLM:000394452",
         "SLM:000001207 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C43H87N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-43(47)44-41(39-51-52(48,49)50-38-37-45(4,5)6)42(46)35-32-29-26-23-21-22-25-28-31-34-40(2)3/h32,35,40-42,46H,7-31,33-34,36-39H2,1-6H3,(H-,44,47,48,49)/b35-32+/t41-,42+/m0/s1",
         "InChIKey=HMQRZNBWVNRNRL-UXROQNIDSA-N",
         "C43H87N2O6P",
         "0.0",
         "759.1344",
         "758.630175",
         "758.629626",
         "759.637451",
         "797.593333",
         "781.619396",
         "765.645631",
         "776.664001",
         null,
         "793.599576",
         "817.644028",
         "70903",
         null,
         null,
         "MNXM107041",
         "19372430"
        ],
        [
         "37",
         "SLM:000000197",
         "Isomeric subspecies",
         "N-(docosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SM(iso-d17:1(4E)/22:0)",
         "N-docosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine | Sphingomyelin (iso-d17:1(4E)/22:0)",
         "SLM:000000007",
         "SLM:000394453",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C44H89N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-24-22-23-26-29-32-35-41(2)3/h33,36,41-43,47H,7-32,34-35,37-40H2,1-6H3,(H-,45,48,49,50)/b36-33+/t42-,43+/m0/s1",
         "InChIKey=RPNHAFAVDGKYBE-IRZMMJPMSA-N",
         "C44H89N2O6P",
         "0.0",
         "773.161",
         "772.645825",
         "772.645277",
         "773.653102",
         "811.608983",
         "795.635046",
         "779.661281",
         "790.679651",
         null,
         "807.615226",
         "831.659678",
         "70910",
         null,
         null,
         "MNXM107027",
         "19372430"
        ],
        [
         "38",
         "SLM:000000198",
         "Isomeric subspecies",
         "N-(tricosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/23:0)",
         "N-tricosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000488887",
         "SLM:000001128 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C40H79NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-32-35-40(44)41-38(36-42)39(43)34-31-28-25-22-20-21-24-27-30-33-37(2)3/h31,34,37-39,42-43H,4-30,32-33,35-36H2,1-3H3,(H,41,44)/b34-31+/t38-,39+/m0/s1",
         "InChIKey=QXQXRHLOSBYVGT-DGTAADTBSA-N",
         "C40H79NO3",
         "0.0",
         "622.0602",
         "621.605995",
         "621.605447",
         "622.613272",
         "660.569154",
         "644.595217",
         "628.621451",
         "639.639821",
         "620.598719",
         "656.575397",
         "680.619848",
         "71379",
         null,
         null,
         "MNXM107154",
         "19372430"
        ],
        [
         "39",
         "SLM:000000199",
         null,
         "N-(2-hydroxyhexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000007",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C48H97N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-34-37-40-47(52)48(53)49-45(43-57-58(54,55)56-42-41-50(4,5)6)46(51)39-36-33-30-28-25-26-29-32-35-38-44(2)3/h36,39,44-47,51-52H,7-35,37-38,40-43H2,1-6H3,(H-,49,53,54,55)/b39-36+/t45-,46+,47?/m0/s1",
         "XDEORTFMNYUGLJ-PDTYYUCESA-N",
         "C48H97N2O7P",
         "0.0",
         "845.2667",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70946",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "40",
         "SLM:000000200",
         null,
         "N-(2-hydroxypentacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000007",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C47H95N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-46(51)47(52)48-44(42-56-57(53,54)55-41-40-49(4,5)6)45(50)38-35-32-29-27-24-25-28-31-34-37-43(2)3/h35,38,43-46,50-51H,7-34,36-37,39-42H2,1-6H3,(H-,48,52,53,54)/b38-35+/t44-,45+,46?/m0/s1",
         "CCOVPWPRULOZOO-PLACYDAFSA-N",
         "C47H95N2O7P",
         "0.0",
         "831.2402",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70939",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "41",
         "SLM:000000201",
         null,
         "N-(2-hydroxytetracosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000007",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)C=CCCCCCCCCCC(C)C",
         "InChI=1S/C46H93N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-45(50)46(51)47-43(41-55-56(52,53)54-40-39-48(4,5)6)44(49)37-34-31-28-26-23-24-27-30-33-36-42(2)3/h34,37,42-45,49-50H,7-33,35-36,38-41H2,1-6H3,(H-,47,51,52,53)/b37-34+/t43-,44+,45?/m0/s1",
         "GEZVGPOLMSEFNA-BSDIBIDVSA-N",
         "C46H93N2O7P",
         "0.0",
         "817.2136",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70932",
         null,
         null,
         null,
         "19372430"
        ],
        [
         "42",
         "SLM:000000202",
         "Isomeric subspecies",
         "hexadecan-1-ol",
         null,
         null,
         "SLM:000389802",
         null,
         null,
         "CCCCCCCCCCCCCCCCO",
         "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",
         "InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N",
         "C16H34O",
         "0.0",
         "242.4406",
         "242.260966",
         "242.260417",
         "243.268242",
         "281.224124",
         "265.250187",
         "249.276421",
         "260.294791",
         "241.253689",
         "277.230367",
         "301.274819",
         "16125",
         "LMFA05000061",
         "HMDB03424",
         "MNXM725",
         "10692424 | 15070765 | 15220348 | 15262939 | 15671038 | 15834126 | 16106050 | 20071337 | 22633490 | 27274541 | 6833249 | 8399344 | 9553082 | 9989261"
        ],
        [
         "43",
         "SLM:000000209",
         "Isomeric subspecies",
         "1-deoxymethyl-sphinganine",
         null,
         null,
         "SLM:000501450",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)C[NH3+]",
         "InChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18/h17,19H,2-16,18H2,1H3/p+1/t17-/m1/s1",
         "InChIKey=UGVBFHUWZNNKIK-QGZVFWFLSA-O",
         "C17H38NO",
         "1.0",
         "272.4897",
         "271.287515",
         "271.286966",
         "272.294791",
         "310.250673",
         "294.276736",
         "278.30297",
         "289.32134",
         "270.280238",
         "306.256916",
         "330.301368",
         "67108",
         null,
         null,
         "MNXM97183",
         null
        ],
        [
         "44",
         "SLM:000000210",
         "Isomeric subspecies",
         "1-deoxysphinganine",
         null,
         null,
         "SLM:000501451",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+]",
         "InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1",
         "InChIKey=YRYJJIXWWQLGGV-ZWKOTPCHSA-O",
         "C18H40NO",
         "1.0",
         "286.5163",
         "285.303165",
         "285.302616",
         "286.310441",
         "324.266323",
         "308.292386",
         "292.31862",
         "303.33699",
         "284.295888",
         "320.272566",
         "344.317018",
         "67109",
         "LMSP01080032",
         null,
         "MNXM82639",
         null
        ],
        [
         "45",
         "SLM:000000211",
         "Isomeric subspecies",
         "(25R)-Delta(4)-dafachronate",
         null,
         null,
         "SLM:000501306",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@@H](C)C([O-])=O",
         "InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/p-1/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1",
         "InChIKey=PSXQJZDFWDKBIP-WXUZHJQESA-M",
         "C27H41O3",
         "-1.0",
         "413.623",
         "414.313395",
         "414.312847",
         "415.320672",
         "453.276553",
         "437.302616",
         "421.328851",
         "432.347221",
         "413.306119",
         "449.282796",
         "473.327248",
         "71570",
         "LMST04030217",
         null,
         "MNXM100988",
         "20843794"
        ],
        [
         "46",
         "SLM:000000212",
         "Isomeric subspecies",
         "(9Z,12Z)-octadecadien-1-ol",
         null,
         null,
         "SLM:000389802",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/CCCCCCCCO",
         "InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-",
         "InChIKey=JXNPEDYJTDQORS-HZJYTTRNSA-N",
         "C18H34O",
         "0.0",
         "266.462",
         "266.260966",
         "266.260417",
         "267.268242",
         "305.224124",
         "289.250187",
         "273.276421",
         "284.294791",
         "265.253689",
         "301.230367",
         "325.274819",
         "73534",
         "LMFA05000217",
         null,
         "MNXM25507",
         "15220348"
        ],
        [
         "47",
         "SLM:000000239",
         "Class",
         "1,2-diacyl-sn-glycero-3-phosphoethanolamine",
         "PE",
         "Phosphatidylethanolamine",
         "SLM:000055213",
         null,
         null,
         "[NH3+]CCOP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C7H12NO8PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64612",
         null,
         null,
         "MNXM32127",
         "15897609 | 16478722 | 17890783 | 18629440 | 18772128  | 19000777 | 19014349 | 19454763 | 19506037 | 20485265 | 20727985 | 24097981 | 2445736 | 24706822 | 8898203 | 9132017 | 9575223"
        ],
        [
         "48",
         "SLM:000000240",
         "Class",
         "1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)",
         "PG",
         "Phosphatidylglycerol",
         "SLM:000055215",
         null,
         null,
         "OC[C@H](O)COP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C8H12O10PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64716",
         null,
         null,
         "MNXM101192",
         "16547353  | 18434318 | 19075029  | 20485265 | 9132017 | 9462830"
        ],
        [
         "49",
         "SLM:000000247",
         "Isomeric subspecies",
         "3-dehydro-15-methylhexadecasphinganine",
         null,
         null,
         "SLM:000390097",
         null,
         null,
         "CC(C)CCCCCCCCCCCC(=O)[C@@H]([NH3+])CO",
         "InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-16,19H,3-14,18H2,1-2H3/p+1/t16-/m0/s1",
         "InChIKey=RGDAORVPVAQJHT-INIZCTEOSA-O",
         "C17H36NO2",
         "1.0",
         "286.4732",
         "285.266779",
         "285.266231",
         "286.274056",
         "324.229938",
         "308.256",
         "292.282235",
         "303.300605",
         "284.259503",
         "320.236181",
         "344.280632",
         "70828",
         null,
         null,
         "MNXM97099",
         null
        ]
       ],
       "shape": {
        "columns": 29,
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       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
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       "    }\n",
       "\n",
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>Class</td>\n",
       "      <td>Ceramide (iso-d17:1(4E))</td>\n",
       "      <td>Cer(iso-d17:1(4E))</td>\n",
       "      <td>N-acyl-15-methylhexadecasphing-4-enine</td>\n",
       "      <td>SLM:000399814</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO)NC([*])=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>70846</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM97012</td>\n",
       "      <td>| 11443131 | 14685263 | 18390550 | 21325339 |...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>SLM:000000003</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>15-methylhexadecasphing-4-enine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390097</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@@H]([NH3+])CO</td>\n",
       "      <td>InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9...</td>\n",
       "      <td>...</td>\n",
       "      <td>292.282235</td>\n",
       "      <td>303.300605</td>\n",
       "      <td>284.259503</td>\n",
       "      <td>320.236181</td>\n",
       "      <td>344.280632</td>\n",
       "      <td>70771</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM57784</td>\n",
       "      <td>19372430</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>SLM:000000006</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>15-methylhexadecasphinganine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390097</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)CCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO</td>\n",
       "      <td>InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9...</td>\n",
       "      <td>...</td>\n",
       "      <td>294.297885</td>\n",
       "      <td>305.316255</td>\n",
       "      <td>286.275153</td>\n",
       "      <td>322.251831</td>\n",
       "      <td>346.296282</td>\n",
       "      <td>70829</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM97029</td>\n",
       "      <td>19372430</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>Class</td>\n",
       "      <td>Sphingomyelin (iso-d17:1(4E))</td>\n",
       "      <td>SM(iso-d17:1(4E))</td>\n",
       "      <td>N-acyl-15-methylhexadecasphing-4-enine-1-phosp...</td>\n",
       "      <td>SLM:000001000</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O...</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>70775</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM97113</td>\n",
       "      <td>14685263 | 21926990 | 9603947</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>SLM:000000035</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>sphinganine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390097</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO</td>\n",
       "      <td>InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12...</td>\n",
       "      <td>...</td>\n",
       "      <td>308.313535</td>\n",
       "      <td>319.331905</td>\n",
       "      <td>300.290803</td>\n",
       "      <td>336.267481</td>\n",
       "      <td>360.311932</td>\n",
       "      <td>57817</td>\n",
       "      <td>LMSP01020001</td>\n",
       "      <td>HMDB00269</td>\n",
       "      <td>MNXM302</td>\n",
       "      <td>10652340 | 10702247 | 10751414 | 10802064 | 10...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779244</th>\n",
       "      <td>SLM:000782324</td>\n",
       "      <td>NaN</td>\n",
       "      <td>apo carotenoid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000508864</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>53183</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779245</th>\n",
       "      <td>SLM:000782325</td>\n",
       "      <td>NaN</td>\n",
       "      <td>terpenoid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000508864</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>26873</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779246</th>\n",
       "      <td>SLM:000782326</td>\n",
       "      <td>NaN</td>\n",
       "      <td>C-45 isoprenoid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000508864</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>87168</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779247</th>\n",
       "      <td>SLM:000782327</td>\n",
       "      <td>NaN</td>\n",
       "      <td>gamma-lactone</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000782238</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>O1C(C(C(C1=O)*)*)*</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>37581</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779248</th>\n",
       "      <td>SLM:000782328</td>\n",
       "      <td>NaN</td>\n",
       "      <td>oxidized 2-acylglycerol</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000355</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>OCC(CO)OC(=O)*</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>167117</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>779249 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level                             Name  \\\n",
       "0       SLM:000000002                Class         Ceramide (iso-d17:1(4E))   \n",
       "1       SLM:000000003  Isomeric subspecies  15-methylhexadecasphing-4-enine   \n",
       "2       SLM:000000006  Isomeric subspecies     15-methylhexadecasphinganine   \n",
       "3       SLM:000000007                Class    Sphingomyelin (iso-d17:1(4E))   \n",
       "4       SLM:000000035  Isomeric subspecies                      sphinganine   \n",
       "...               ...                  ...                              ...   \n",
       "779244  SLM:000782324                  NaN                   apo carotenoid   \n",
       "779245  SLM:000782325                  NaN                        terpenoid   \n",
       "779246  SLM:000782326                  NaN                  C-45 isoprenoid   \n",
       "779247  SLM:000782327                  NaN                    gamma-lactone   \n",
       "779248  SLM:000782328                  NaN          oxidized 2-acylglycerol   \n",
       "\n",
       "             Abbreviation*                                          Synonyms*  \\\n",
       "0       Cer(iso-d17:1(4E))             N-acyl-15-methylhexadecasphing-4-enine   \n",
       "1                      NaN                                                NaN   \n",
       "2                      NaN                                                NaN   \n",
       "3        SM(iso-d17:1(4E))  N-acyl-15-methylhexadecasphing-4-enine-1-phosp...   \n",
       "4                      NaN                                                NaN   \n",
       "...                    ...                                                ...   \n",
       "779244                 NaN                                                NaN   \n",
       "779245                 NaN                                                NaN   \n",
       "779246                 NaN                                                NaN   \n",
       "779247                 NaN                                                NaN   \n",
       "779248                 NaN                                                NaN   \n",
       "\n",
       "         Lipid class* Parent Components*  \\\n",
       "0       SLM:000399814    NaN         NaN   \n",
       "1       SLM:000390097    NaN         NaN   \n",
       "2       SLM:000390097    NaN         NaN   \n",
       "3       SLM:000001000    NaN         NaN   \n",
       "4       SLM:000390097    NaN         NaN   \n",
       "...               ...    ...         ...   \n",
       "779244  SLM:000508864    NaN         NaN   \n",
       "779245  SLM:000508864    NaN         NaN   \n",
       "779246  SLM:000508864    NaN         NaN   \n",
       "779247  SLM:000782238    NaN         NaN   \n",
       "779248  SLM:000000355    NaN         NaN   \n",
       "\n",
       "                                           SMILES (pH7.3)  \\\n",
       "0          CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO)NC([*])=O   \n",
       "1            CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@@H]([NH3+])CO   \n",
       "2               CC(C)CCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO   \n",
       "3       CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O...   \n",
       "4                CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO   \n",
       "...                                                   ...   \n",
       "779244                                                NaN   \n",
       "779245                                                NaN   \n",
       "779246                                                NaN   \n",
       "779247                                 O1C(C(C(C1=O)*)*)*   \n",
       "779248                                     OCC(CO)OC(=O)*   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "0                                              InChI=none  ...   \n",
       "1       InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9...  ...   \n",
       "2       InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9...  ...   \n",
       "3                                              InChI=none  ...   \n",
       "4       InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12...  ...   \n",
       "...                                                   ...  ...   \n",
       "779244                                                NaN  ...   \n",
       "779245                                                NaN  ...   \n",
       "779246                                                NaN  ...   \n",
       "779247                                                NaN  ...   \n",
       "779248                                                NaN  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "0                       NaN                   NaN                  NaN   \n",
       "1                292.282235            303.300605           284.259503   \n",
       "2                294.297885            305.316255           286.275153   \n",
       "3                       NaN                   NaN                  NaN   \n",
       "4                308.313535            319.331905           300.290803   \n",
       "...                     ...                   ...                  ...   \n",
       "779244                  NaN                   NaN                  NaN   \n",
       "779245                  NaN                   NaN                  NaN   \n",
       "779246                  NaN                   NaN                  NaN   \n",
       "779247                  NaN                   NaN                  NaN   \n",
       "779248                  NaN                   NaN                  NaN   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-    CHEBI    LIPID MAPS  \\\n",
       "0                        NaN                     NaN   70846           NaN   \n",
       "1                 320.236181              344.280632   70771           NaN   \n",
       "2                 322.251831              346.296282   70829           NaN   \n",
       "3                        NaN                     NaN   70775           NaN   \n",
       "4                 336.267481              360.311932   57817  LMSP01020001   \n",
       "...                      ...                     ...     ...           ...   \n",
       "779244                   NaN                     NaN   53183           NaN   \n",
       "779245                   NaN                     NaN   26873           NaN   \n",
       "779246                   NaN                     NaN   87168           NaN   \n",
       "779247                   NaN                     NaN   37581           NaN   \n",
       "779248                   NaN                     NaN  167117           NaN   \n",
       "\n",
       "             HMDB   MetaNetX  \\\n",
       "0             NaN  MNXM97012   \n",
       "1             NaN  MNXM57784   \n",
       "2             NaN  MNXM97029   \n",
       "3             NaN  MNXM97113   \n",
       "4       HMDB00269    MNXM302   \n",
       "...           ...        ...   \n",
       "779244        NaN        NaN   \n",
       "779245        NaN        NaN   \n",
       "779246        NaN        NaN   \n",
       "779247        NaN        NaN   \n",
       "779248        NaN        NaN   \n",
       "\n",
       "                                                     PMID  \n",
       "0        | 11443131 | 14685263 | 18390550 | 21325339 |...  \n",
       "1                                                19372430  \n",
       "2                                                19372430  \n",
       "3                           14685263 | 21926990 | 9603947  \n",
       "4       10652340 | 10702247 | 10751414 | 10802064 | 10...  \n",
       "...                                                   ...  \n",
       "779244                                                NaN  \n",
       "779245                                                NaN  \n",
       "779246                                                NaN  \n",
       "779247                                                NaN  \n",
       "779248                                                NaN  \n",
       "\n",
       "[779249 rows x 29 columns]"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids = get_prior_knowledge('swisslipids', verbose=True)\n",
    "df_swisslipids"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "If we take a closer look into the data, especially the `Lipid class*` column, we will see that some of the values have multiple entries. For example Ceramide phosphoinositol is a Class level entry that itself belongs to both the SLM:000000834 and SLM:000399815 classes."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Name",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Abbreviation*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Synonyms*",
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        },
        {
         "name": "Lipid class*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Components*",
         "rawType": "object",
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        },
        {
         "name": "SMILES (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "unknown"
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         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
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         "name": "Formula (pH7.3)",
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         "rawType": "float64",
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         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
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         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
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        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
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         "name": "CHEBI",
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         "142",
         "SLM:000000392",
         "Class",
         "Ceramide phosphoinositol",
         "IPC",
         "Inositol-1-phosphoceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C10H17NO11PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64916",
         null,
         null,
         null,
         "10888667 | 20727985"
        ],
        [
         "234",
         "SLM:000000509",
         "Isomeric subspecies",
         "All-trans-retinyl hexadecanoate",
         null,
         "all-trans-retinyl palmitate",
         "SLM:000000982 | SLM:000508854",
         null,
         null,
         "CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C",
         "InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",
         "VYGQUTWHTHXGQB-FFHKNEKCSA-N",
         "C36H60O2",
         "0.0",
         "524.8604",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17616",
         null,
         "HMDB03648",
         null,
         "10769148 | 10819989 | 12230550 | 15550674 | 15834126 | 15955102 | 16106050 | 16214399 | 16787387 | 17158102 | 17603008 | 20628054 | 25112876 | 9162045 | 9920938"
        ],
        [
         "315",
         "SLM:000000612",
         null,
         "tetracosenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782334",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O",
         null,
         null,
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         "-4.0",
         "1112.108",
         null,
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         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74146",
         null,
         null,
         null,
         "18541923 | 20110363 | 20937905"
        ],
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         "317",
         "SLM:000000614",
         null,
         "hexacosenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782334",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O",
         null,
         null,
         "C47H80N7O17P3S",
         "-4.0",
         "1140.161",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74161",
         null,
         null,
         null,
         "18165233"
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        [
         "319",
         "SLM:000000621",
         null,
         "2-hydroxy-tetracosenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782334",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)[*]",
         null,
         null,
         "C45H76N7O18P3S",
         "-4.0",
         "1128.10952",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74215",
         null,
         null,
         null,
         "18541923"
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        [
         "512",
         "SLM:000000835",
         "Class",
         "Ceramide phosphomannosylinositol",
         "MIPC",
         "Mannosylinositol-1-phosphoceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*])[C@@H](O)[C@@H](O)[C@@H]1O",
         "InChI=none",
         null,
         "C16H27NO16PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
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         null,
         null,
         null,
         "64997",
         null,
         null,
         null,
         "10931938 | 11006294 | 20727985 | 22322963"
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        [
         "513",
         "SLM:000000836",
         "Class",
         "Ins-1-P-6-Man-1-2-Ins-1-P-Cer",
         "M(IP)2C",
         "Inositol phosphomannosylinositol-1-phosphoceramide | mannosyl diphosphorylinositol ceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](COP([O-])(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C22H37NO24P2R2",
         "-2.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74997",
         null,
         null,
         null,
         "10931938 | 20727985 | 22322963"
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         "550",
         "SLM:000000880",
         "Class",
         "Lactosyl ceramide (d18:1(4E))",
         "LacCer(d18:1(4E))",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-sphing-4-enine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C31H56NO13R",
         "0.0",
         null,
         null,
         null,
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         null,
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         null,
         null,
         null,
         "17950",
         null,
         null,
         "MNXM527858",
         "10092602 | 10320813 | 10405317 | 10748143 | 10838196 | 10854427 | 10854428 | 11283017 | 11384981 | 12629211 | 15847605 | 16934889 | 21057870 | 21675735 | 23801329 | 30114188 | 3140234 | 8804427 | 8830034 | 9593693 | 9822625 | 9875239"
        ],
        [
         "569",
         "SLM:000000926",
         "Class",
         "Galactosyl ceramide (d18:1(4E))",
         "GalCer(d18:1(4E))",
         "Galactosyl ceramide(d18:1(4E)) | N-acyl-1-O-beta-D-galactosyl-sphing-4-enine",
         "SLM:000389698 | SLM:000399707",
         null,
         null,
         "C(=C/CCCCCCCCCCCCC)[C@@H](O)[C@@H](NC(=O)*)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O",
         null,
         null,
         "C25H46NO8R",
         "0.0",
         "488.636",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "18390",
         null,
         null,
         "MNXM521765",
         "16934889 | 23532839 | 24294900 | 8399327 | 8713090 | 8830034"
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        [
         "610",
         "SLM:000001000",
         "Class",
         "Sphingomyelin",
         "SM",
         "Ceramide phosphocholine",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "C[N+](C)(C)CCOP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*]",
         "InChI=none",
         null,
         null,
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64583",
         null,
         null,
         "MNXM354",
         "14741383 | 16702602 | 7654206"
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        [
         "611",
         "SLM:000001005",
         "Class",
         "Sulfogalactosyl ceramide (d18:1(4E))",
         "SulfoGalCer(d18:1(4E))",
         "N-acyl-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine",
         "SLM:000399709 | SLM:000501351",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C25H45NO11SR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "75956",
         null,
         null,
         "MNXM683216",
         "24294900 | 8830034"
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        [
         "644",
         "SLM:000001051",
         null,
         "2-methylacetoacetyl-CoA",
         null,
         null,
         "SLM:000000726  | SLM:000782258",
         null,
         null,
         "CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13?,15-,18-,19-,20+,24-/m1/s1",
         "NHNODHRSCRALBF-NQNBQJKNSA-J",
         "C26H38N7O18P3S",
         "-4.0",
         "861.602",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57335",
         null,
         null,
         null,
         "17371050 | 19706438"
        ],
        [
         "387295",
         "SLM:000389357",
         null,
         "nonanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782335",
         null,
         null,
         "CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1",
         "WLDUTYVSAGSKIV-FUEUKBNZSA-J",
         "C30H48N7O17P3S",
         "-4.0",
         "903.725",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76291",
         null,
         null,
         null,
         "16020546 | 18267944"
        ],
        [
         "387339",
         "SLM:000389419",
         "Isomeric subspecies",
         "All-trans-retinyl (9Z)-octadecenoate",
         null,
         "all-trans-retinyl oleate",
         "SLM:000000982 | SLM:000508854",
         null,
         null,
         "CCCCCCCCC=C/CCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C",
         "InChI=1S/C38H62O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h14-15,22,24-25,28-30H,7-13,16-21,23,26-27,31-32H2,1-6H3/b15-14-,25-22+,29-28+,33-24+,34-30+",
         "FXKDHZXYYBPLHI-TUTABMRPSA-N",
         "C38H62O2",
         "0.0",
         "550.8977",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70760",
         null,
         null,
         null,
         "17603008"
        ],
        [
         "387343",
         "SLM:000389425",
         "Class",
         "1-phosphosphingoid base",
         null,
         null,
         "SLM:000399815 | SLM:000501452",
         null,
         null,
         "[NH3+][C@@H](COP([O-])([O-])=O)[C@H](O)[*]",
         "InChI=none",
         null,
         "C3H8NO5PR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76941",
         null,
         null,
         "MNXM453139",
         null
        ],
        [
         "387370",
         "SLM:000389470",
         null,
         "(2E)-pristenoyl-CoA",
         null,
         null,
         "SLM:000000814 | SLM:000782258",
         null,
         null,
         "CC(C)CCCC(C)CCCC(C)CCC=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1",
         "WLOASZHRLIOYIA-TXRROMTDSA-J",
         "C40H66N7O17P3S",
         "-4.0",
         "1041.977",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "77293",
         null,
         null,
         null,
         "1400324"
        ],
        [
         "387400",
         "SLM:000389511",
         null,
         "undecanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782335",
         null,
         null,
         "CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t21-,25-,26-,27+,31-/m1/s1",
         "InChIKey=IZWCGXGZGYKDHR-GRBGHKMPSA-J",
         "C32H52N7O17P3S",
         "-4.0",
         "931.78",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "77547",
         null,
         null,
         null,
         "16020546 | 8206942"
        ],
        [
         "387515",
         "SLM:000389681",
         "Class",
         "Sulfolactosyl ceramide (d18:1(4E))",
         "SulfoLacCer(d18:1(4E))",
         "N-acyl-beta-D-(3-O-sulfo)-galactosyl-(1->4)-beta-D-glucosyl-(1->1)-sphing-4-enine",
         "SLM:000399708 | SLM:000501187",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C31H55NO16SR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78426",
         null,
         null,
         "MNXM683349",
         "8830034"
        ],
        [
         "387573",
         "SLM:000389754",
         null,
         "heptanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782335",
         null,
         null,
         "CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21-,22-,23+,27-/m1/s1",
         "InChIKey=CHVYGJMBUXUTSX-SVHODSNWSA-J",
         "C28H44N7O17P3S",
         "-4.0",
         "875.674",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78811",
         null,
         null,
         null,
         "10629181 | 18267944 | 8206942"
        ],
        [
         "387622",
         "SLM:000389818",
         null,
         "N-tetracosadienoylsphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000567 | SLM:000390822",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC([*])=O",
         "InChI=none",
         null,
         "C47H91N2O6P",
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "83852",
         null,
         null,
         null,
         null
        ],
        [
         "387625",
         "SLM:000389822",
         "Isomeric subspecies",
         "All-trans-retinyl octadecanoate",
         null,
         "all-trans-retinyl stearate",
         "SLM:000000982 | SLM:000508854",
         null,
         null,
         "CCCCCCCCCCCCCCCCCC(=O)OC\\C=C(C)\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C",
         "InChI=1S/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+",
         "InChIKey=YNGACJMSLZMZOX-FPFNAQAWSA-N",
         "C38H64O2",
         "0.0",
         "552.9136",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70761",
         null,
         null,
         null,
         null
        ],
        [
         "387650",
         "SLM:000389855",
         null,
         "octadecanoyl-[ACP]",
         null,
         null,
         "SLM:000508866 | SLM:000508878",
         null,
         null,
         "CC(=C)[C@H]1Cc2cc(ccc2O1)C(C)=O",
         "InChI=1S/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H3/t13-/m1/s1",
         "InChIKey=UVYUUQGGBNKRFU-CYBMUJFWSA-N",
         "C13H14O2",
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78495",
         null,
         null,
         null,
         null
        ],
        [
         "387664",
         "SLM:000389892",
         null,
         "(2Z,4Z)-2-hydroxyhexa-2,4-dienoate",
         null,
         null,
         "SLM:000389801 | SLM:000501333",
         null,
         null,
         "C\\C=C/C=C(\\O)C([O-])=O",
         "InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/p-1/b3-2-,5-4-",
         "InChIKey=VPGPQVKJUYKKNN-LDIADDGTSA-M",
         "C6H7O3",
         "-1.0",
         "127.118",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "63693",
         null,
         null,
         null,
         "17264217"
        ],
        [
         "387678",
         "SLM:000389948",
         null,
         "3-methylbut-2-enoyl-CoA",
         null,
         null,
         "SLM:000000814 | SLM:000597607",
         null,
         null,
         "CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1",
         "InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J",
         "C26H38N7O17P3S",
         "-4.0",
         "845.603",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57344",
         null,
         null,
         null,
         "25695631 | 26251176 | 7640268"
        ],
        [
         "387696",
         "SLM:000389977",
         null,
         "2-acyl-sn-glycero-1-phospho-(2'-acyl-1'-sn-glycerol)",
         null,
         null,
         "SLM:000477293 | SLM:000477294",
         null,
         null,
         "OC[C@@H](COP([O-])(=O)OC[C@H](CO)OC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C8H12O10PR2",
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "77720",
         null,
         null,
         null,
         null
        ],
        [
         "387782",
         "SLM:000390098",
         null,
         "prostaglandin D2-ethanolamide",
         null,
         null,
         "SLM:000000378 | SLM:000501315",
         null,
         null,
         "CCCCC[C@H](O)\\C=C\\[C@@H]1[C@@H](C\\C=C/CCCC(=O)NCCO)[C@@H](O)CC1=O",
         "InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1",
         "InChIKey=KEYDJKSQFDUAGF-YIRKRNQHSA-N",
         "C22H37NO5",
         "0.0",
         "395.5329",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "85174",
         null,
         null,
         null,
         "15047184"
        ],
        [
         "387835",
         "SLM:000390155",
         null,
         "12-hydroxyoctadecanoyl-CoA",
         null,
         null,
         "SLM:000389958 | SLM:000390052",
         null,
         null,
         "CCCCCCC(O)CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C39H70N7O18P3S/c1-4-5-6-13-16-27(47)17-14-11-9-7-8-10-12-15-18-30(49)68-22-21-41-29(48)19-20-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27?,28-,32-,33-,34+,38-/m1/s1",
         "InChIKey=MPIAMAMOXFUBTE-FWBOWLIOSA-J",
         "C39H66N7O18P3S",
         "-4.0",
         "1045.966",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84202",
         null,
         null,
         null,
         "15984864"
        ],
        [
         "387840",
         "SLM:000390160",
         null,
         "9-decenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782335",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C",
         "InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h4,18-20,24-26,30,41-42H,1,5-17H2,2-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1",
         "InChIKey=BDHWPVPKCWWQPF-HSJNEKGZSA-J",
         "C31H48N7O17P3S",
         "-4.0",
         "915.738",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84214",
         null,
         null,
         null,
         "15984864"
        ],
        [
         "387888",
         "SLM:000390210",
         null,
         "(3Z)-hexenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782333",
         null,
         null,
         "CC\\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5-/t16-,20-,21-,22+,26-/m1/s1",
         "InChIKey=SKDDJNFRAZIJIG-KEOONSNPSA-J",
         "C27H40N7O17P3S",
         "-4.0",
         "859.632",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "85415",
         null,
         null,
         null,
         "2303409"
        ],
        [
         "387903",
         "SLM:000390229",
         null,
         "(S)-4-hydroxy-2-oxohexanoate",
         null,
         null,
         "SLM:000501327 | SLM:000782294",
         null,
         null,
         "CC[C@H](O)CC(=O)C([O-])=O",
         "InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)/p-1/t4-/m0/s1",
         "InChIKey=ALFQPWXBAWHVDP-BYPYZUCNSA-M",
         "C6H9O4",
         "-1.0",
         "145.1333",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "73142",
         null,
         null,
         null,
         "23614353"
        ],
        [
         "397375",
         "SLM:000399705",
         "Class",
         "Ceramide phosphate",
         "CerP",
         null,
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])([O-])=O)NC([*])=O",
         "InChI=none",
         null,
         "C4H6NO6PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84404",
         null,
         null,
         "MNXM972",
         null
        ],
        [
         "397376",
         "SLM:000399706",
         "Class",
         "Ceramide phosphoethanolamine",
         "PE-Cer",
         null,
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "[NH3+]CCOP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*]",
         "InChI=none",
         null,
         "C6H13N2O6PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "73202",
         null,
         null,
         "MNXM158322",
         null
        ],
        [
         "397377",
         "SLM:000399707",
         "Class",
         "Hexosyl ceramide",
         "HexCer",
         "N-acyl-sphingoid base-1-O-hexosyl",
         "SLM:000000834 | SLM:000399813",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "62941",
         null,
         null,
         "MNXM526258",
         null
        ],
        [
         "397378",
         "SLM:000399708",
         "Class",
         "Dihexosyl ceramide",
         "Hex2Cer",
         null,
         "SLM:000000834 | SLM:000399813",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "63415",
         null,
         null,
         "MNXM510877",
         null
        ],
        [
         "397379",
         "SLM:000399709",
         "Class",
         "Sulfohexosyl ceramide",
         "SulfoHexCer",
         null,
         "SLM:000000834 | SLM:000399817",
         null,
         null,
         null,
         "InChI=none",
         null,
         null,
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84732",
         null,
         null,
         "MNXM683218",
         null
        ],
        [
         "397380",
         "SLM:000399710",
         "Class",
         "Sulfodihexosyl ceramide",
         "SulfoHex2Cer",
         null,
         "SLM:000000834 | SLM:000399817",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84733",
         null,
         null,
         "MNXM683085",
         null
        ],
        [
         "397384",
         "SLM:000399777",
         "Class",
         "Lactosyl ceramide (d20:0)",
         "LacCer(d20:0)",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-eicosasphinganine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C33H62NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82990 ",
         null,
         null,
         "MNXM527859",
         null
        ],
        [
         "397385",
         "SLM:000399778",
         "Class",
         "Lactosyl ceramide (d20:1(4E))",
         "LacCer(d20:1(4E))",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-eicosasphing-4-enine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C33H60NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82989",
         null,
         null,
         "MNXM158431",
         null
        ],
        [
         "397387",
         "SLM:000399780",
         "Class",
         "Lactosyl ceramide (d18:0)",
         "LacCer(d18:0)",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-sphinganine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C31H58NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82926",
         null,
         null,
         "MNXM158432",
         null
        ],
        [
         "397389",
         "SLM:000399782",
         "Class",
         "Galactosyl ceramide (d18:0)",
         "GalCer(d18:0)",
         "N-acyl-1-O-beta-D-galactosyl-sphinganine",
         "SLM:000389698 | SLM:000399707",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C25H48NO8R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82920",
         null,
         null,
         "MNXM521764",
         null
        ],
        [
         "397436",
         "SLM:000399834",
         null,
         "omega-hydroxy-3,7,11,15-tetramethyl-hexadecanoate",
         null,
         null,
         "SLM:000389429 | SLM:000782276",
         null,
         null,
         "CC(CO)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O",
         "InChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)/p-1",
         "InChIKey=CBZPGRKSSXCZLI-UHFFFAOYSA-M",
         "C20H39O3",
         "-1.0",
         "327.5224",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "83916",
         null,
         null,
         null,
         "19933331"
        ],
        [
         "397467",
         "SLM:000399868",
         null,
         "(3Z)-octenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782333",
         null,
         null,
         "CCCC\\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h7-8,16-18,22-24,28,39-40H,4-6,9-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b8-7-/t18-,22-,23-,24+,28-/m1/s1",
         "InChIKey=CSCVMTFVEARIET-IJKSGAABSA-J",
         "C29H44N7O17P3S",
         "-4.0",
         "887.685",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "85640",
         null,
         null,
         null,
         "10419495 | 11781327 | 7818490"
        ],
        [
         "487239",
         "SLM:000489918",
         "Class",
         "Ganglioside",
         "Ganglio",
         "Ganglio-series",
         "SLM:000000834 | SLM:000399813",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "28892",
         null,
         null,
         "MNXM54362",
         null
        ],
        [
         "487286",
         "SLM:000489966",
         null,
         "(E)-2-methylcrotonoyl-CoA",
         null,
         null,
         "SLM:000000814 | SLM:000782258",
         null,
         null,
         "C\\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b14-5+/t15-,18-,19-,20+,24-/m1/s1",
         "PMWATMXOQQZNBX-DKBZLLMOSA-J",
         "C26H38N7O17P3S",
         "-4.0",
         "845.603",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57337",
         null,
         null,
         null,
         "11013134 | 6874697 | 7698750"
        ],
        [
         "498368",
         "SLM:000501054",
         null,
         "(7Z)-hexadecenoyl-CoA",
         null,
         null,
         "SLM:000389958 | SLM:000390051",
         null,
         null,
         "[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCC/C=C\\CCCCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O",
         "InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b12-11-/t26-,30-,31-,32+,36-/m1/s1",
         "MJWMOLDKMBISOB-YDGGZUKGSA-J",
         "C37H60N7O17P3S",
         "-4.0",
         "999.898",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "87698",
         null,
         null,
         null,
         "8063752"
        ],
        [
         "498379",
         "SLM:000501071",
         null,
         "tricosanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782334",
         null,
         null,
         "[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O",
         "InChI=1S/C44H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h31-33,37-39,43,54-55H,4-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/p-4/t33-,37-,38-,39+,43-/m1/s1",
         "GBAQBZWAXMYXRJ-IDCBOFBBSA-J",
         "C44H76N7O17P3S",
         "-4.0",
         "1100.1",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "90118",
         null,
         null,
         null,
         "21237683"
        ],
        [
         "498438",
         "SLM:000501170",
         null,
         "3-hydroxyisovaleryl-CoA",
         null,
         null,
         "SLM:000389969 | SLM:000782258",
         null,
         null,
         "CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,18-,19-,20+,24-/m1/s1",
         "PEVZKILCBDEOBT-CITAKDKDSA-J",
         "C26H40N7O18P3S",
         "-4.0",
         "863.618",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "62555",
         null,
         null,
         null,
         "26251176"
        ],
        [
         "498470",
         "SLM:000501207",
         "Isomeric subspecies",
         "Resolvin E1",
         "RvE1",
         "18-oxo-(5S,12R)-dihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate",
         "SLM:000508853 | SLM:000782221",
         null,
         null,
         "C(\\[C@H](CCCC([O-])=O)O)=C\\C=C\\C=C\\[C@@H](C\\C=C/C=C/[C@@H](CC)O)O",
         "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1",
         "InChIKey=AOPOCGPBAIARAV-OTBJXLELSA-M",
         "C20H29O5",
         "-1.0",
         "349.448",
         "350.209324",
         "350.208775",
         "351.216601",
         "389.172482",
         "373.198545",
         "357.22478",
         "368.24315",
         "349.202048",
         "385.178725",
         "409.223177",
         "91000",
         "LMFA03140003",
         null,
         "MNXM80716",
         "15753205 | 16757471 | 17339491 | 21206090"
        ],
        [
         "498471",
         "SLM:000501208",
         "Isomeric subspecies",
         "18-oxo-resolvin E1",
         "18-keto-RvE1 | 18-oxo-RvE1",
         "18-oxo-(5S,12R)-dihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate",
         "SLM:000508853 | SLM:000782221",
         null,
         null,
         "C(\\[C@H](CCCC([O-])=O)O)=C\\C=C\\C=C\\[C@@H](C/C=C\\C=C\\C(CC)=O)O",
         "InChI=1S/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,18-19,22-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t18-,19+/m0/s1",
         "InChIKey=CMOJNYRANQREGD-IJDHQMKWSA-M",
         "C20H27O5 ",
         "-1.0",
         "347.432",
         "348.193674",
         "348.193125",
         "349.20095",
         "387.156832",
         "371.182895",
         "355.209129",
         "366.2275",
         "347.186398",
         "383.163075",
         "407.207527",
         "91001",
         " LMFA03140012",
         null,
         "MNXM33765",
         "16757471"
        ],
        [
         "498584",
         "SLM:000501339",
         null,
         "(3Z)-tetradecenoyl-CoA",
         null,
         null,
         "SLM:000389958 | SLM:000390051",
         null,
         null,
         "CCCCCCCCCC\\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h13-14,22-24,28-30,34,45-46H,4-12,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b14-13-/t24-,28-,29-,30+,34-/m1/s1",
         "SSOCUKXLUZQJHU-AOVQAXKGSA-J",
         "C35H56N7O17P3S",
         "-4.0",
         "971.842",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "61968",
         null,
         null,
         null,
         "11781327"
        ]
       ],
       "shape": {
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        "rows": 119
       }
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>142</th>\n",
       "      <td>SLM:000000392</td>\n",
       "      <td>Class</td>\n",
       "      <td>Ceramide phosphoinositol</td>\n",
       "      <td>IPC</td>\n",
       "      <td>Inositol-1-phosphoceramide</td>\n",
       "      <td>SLM:000000834 | SLM:000399815</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>O[C@H]([*])[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[...</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>64916</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>10888667 | 20727985</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>234</th>\n",
       "      <td>SLM:000000509</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>All-trans-retinyl hexadecanoate</td>\n",
       "      <td>NaN</td>\n",
       "      <td>all-trans-retinyl palmitate</td>\n",
       "      <td>SLM:000000982 | SLM:000508854</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C...</td>\n",
       "      <td>InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17616</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB03648</td>\n",
       "      <td>NaN</td>\n",
       "      <td>10769148 | 10819989 | 12230550 | 15550674 | 15...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>315</th>\n",
       "      <td>SLM:000000612</td>\n",
       "      <td>NaN</td>\n",
       "      <td>tetracosenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390051 | SLM:000782334</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74146</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18541923 | 20110363 | 20937905</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>317</th>\n",
       "      <td>SLM:000000614</td>\n",
       "      <td>NaN</td>\n",
       "      <td>hexacosenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390051 | SLM:000782334</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74161</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18165233</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>319</th>\n",
       "      <td>SLM:000000621</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2-hydroxy-tetracosenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390051 | SLM:000782334</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74215</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18541923</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>755324</th>\n",
       "      <td>SLM:000758294</td>\n",
       "      <td>Class</td>\n",
       "      <td>Globoside</td>\n",
       "      <td>Globo</td>\n",
       "      <td>Globo-series</td>\n",
       "      <td>SLM:000000834 | SLM:000399813</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>61360</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>755325</th>\n",
       "      <td>SLM:000758295</td>\n",
       "      <td>Class</td>\n",
       "      <td>Isogloboside</td>\n",
       "      <td>Isoglobo</td>\n",
       "      <td>Isoglobo-series</td>\n",
       "      <td>SLM:000000834 | SLM:000399813</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>78257</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779141</th>\n",
       "      <td>SLM:000782221</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Resolvin E</td>\n",
       "      <td>RvE</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000501332 | SLM:000508853</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>LMFA0314</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779142</th>\n",
       "      <td>SLM:000782222</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Resolvin D</td>\n",
       "      <td>RvD</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000501331 | SLM:000508853</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>LMFA0403</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779157</th>\n",
       "      <td>SLM:000782237</td>\n",
       "      <td>NaN</td>\n",
       "      <td>an N-(omega-(9Z,12Z-octadecadienoyloxy)-ultra-...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000413 | SLM:000782274</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)*COC(...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>157662</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>119 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level  \\\n",
       "142     SLM:000000392                Class   \n",
       "234     SLM:000000509  Isomeric subspecies   \n",
       "315     SLM:000000612                  NaN   \n",
       "317     SLM:000000614                  NaN   \n",
       "319     SLM:000000621                  NaN   \n",
       "...               ...                  ...   \n",
       "755324  SLM:000758294                Class   \n",
       "755325  SLM:000758295                Class   \n",
       "779141  SLM:000782221                  NaN   \n",
       "779142  SLM:000782222                  NaN   \n",
       "779157  SLM:000782237                  NaN   \n",
       "\n",
       "                                                     Name Abbreviation*  \\\n",
       "142                              Ceramide phosphoinositol           IPC   \n",
       "234                       All-trans-retinyl hexadecanoate           NaN   \n",
       "315                                     tetracosenoyl-CoA           NaN   \n",
       "317                                      hexacosenoyl-CoA           NaN   \n",
       "319                           2-hydroxy-tetracosenoyl-CoA           NaN   \n",
       "...                                                   ...           ...   \n",
       "755324                                          Globoside         Globo   \n",
       "755325                                       Isogloboside      Isoglobo   \n",
       "779141                                         Resolvin E           RvE   \n",
       "779142                                         Resolvin D           RvD   \n",
       "779157  an N-(omega-(9Z,12Z-octadecadienoyloxy)-ultra-...           NaN   \n",
       "\n",
       "                          Synonyms*                   Lipid class* Parent  \\\n",
       "142      Inositol-1-phosphoceramide  SLM:000000834 | SLM:000399815    NaN   \n",
       "234     all-trans-retinyl palmitate  SLM:000000982 | SLM:000508854    NaN   \n",
       "315                             NaN  SLM:000390051 | SLM:000782334    NaN   \n",
       "317                             NaN  SLM:000390051 | SLM:000782334    NaN   \n",
       "319                             NaN  SLM:000390051 | SLM:000782334    NaN   \n",
       "...                             ...                            ...    ...   \n",
       "755324                 Globo-series  SLM:000000834 | SLM:000399813    NaN   \n",
       "755325              Isoglobo-series  SLM:000000834 | SLM:000399813    NaN   \n",
       "779141                          NaN  SLM:000501332 | SLM:000508853    NaN   \n",
       "779142                          NaN  SLM:000501331 | SLM:000508853    NaN   \n",
       "779157                          NaN  SLM:000000413 | SLM:000782274    NaN   \n",
       "\n",
       "       Components*                                     SMILES (pH7.3)  \\\n",
       "142            NaN  O[C@H]([*])[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[...   \n",
       "234            NaN  CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C...   \n",
       "315            NaN  CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...   \n",
       "317            NaN  CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...   \n",
       "319            NaN  CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...   \n",
       "...            ...                                                ...   \n",
       "755324         NaN                                                NaN   \n",
       "755325         NaN                                                NaN   \n",
       "779141         NaN                                                NaN   \n",
       "779142         NaN                                                NaN   \n",
       "779157         NaN  [C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)*COC(...   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "142                                            InChI=none  ...   \n",
       "234     InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-1...  ...   \n",
       "315                                                   NaN  ...   \n",
       "317                                                   NaN  ...   \n",
       "319                                                   NaN  ...   \n",
       "...                                                   ...  ...   \n",
       "755324                                                NaN  ...   \n",
       "755325                                                NaN  ...   \n",
       "779141                                         InChI=none  ...   \n",
       "779142                                         InChI=none  ...   \n",
       "779157                                                NaN  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "142                     NaN                   NaN                  NaN   \n",
       "234                     NaN                   NaN                  NaN   \n",
       "315                     NaN                   NaN                  NaN   \n",
       "317                     NaN                   NaN                  NaN   \n",
       "319                     NaN                   NaN                  NaN   \n",
       "...                     ...                   ...                  ...   \n",
       "755324                  NaN                   NaN                  NaN   \n",
       "755325                  NaN                   NaN                  NaN   \n",
       "779141                  NaN                   NaN                  NaN   \n",
       "779142                  NaN                   NaN                  NaN   \n",
       "779157                  NaN                   NaN                  NaN   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-    CHEBI  LIPID MAPS  \\\n",
       "142                      NaN                     NaN   64916         NaN   \n",
       "234                      NaN                     NaN   17616         NaN   \n",
       "315                      NaN                     NaN   74146         NaN   \n",
       "317                      NaN                     NaN   74161         NaN   \n",
       "319                      NaN                     NaN   74215         NaN   \n",
       "...                      ...                     ...     ...         ...   \n",
       "755324                   NaN                     NaN   61360         NaN   \n",
       "755325                   NaN                     NaN   78257         NaN   \n",
       "779141                   NaN                     NaN     NaN    LMFA0314   \n",
       "779142                   NaN                     NaN     NaN    LMFA0403   \n",
       "779157                   NaN                     NaN  157662         NaN   \n",
       "\n",
       "             HMDB  MetaNetX                                               PMID  \n",
       "142           NaN       NaN                                10888667 | 20727985  \n",
       "234     HMDB03648       NaN  10769148 | 10819989 | 12230550 | 15550674 | 15...  \n",
       "315           NaN       NaN                     18541923 | 20110363 | 20937905  \n",
       "317           NaN       NaN                                           18165233  \n",
       "319           NaN       NaN                                           18541923  \n",
       "...           ...       ...                                                ...  \n",
       "755324        NaN       NaN                                                NaN  \n",
       "755325        NaN       NaN                                                NaN  \n",
       "779141        NaN       NaN                                                NaN  \n",
       "779142        NaN       NaN                                                NaN  \n",
       "779157        NaN       NaN                                                NaN  \n",
       "\n",
       "[119 rows x 29 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids.dropna(subset='Lipid class*')[df_swisslipids['Lipid class*'].dropna().str.contains('|', regex=False)]"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "What about other IDs?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (|) in Lipid ID\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in Level\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in Name\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in Abbreviation*\n",
      "Found 9768 rows with split characters\n"
     ]
    },
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Name",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Abbreviation*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Synonyms*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Lipid class*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Components*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "SMILES (pH7.3)",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "LIPID MAPS",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "HMDB",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "MetaNetX",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "PMID",
         "rawType": "object",
         "type": "unknown"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "cded4c77-4765-4118-9fa8-b171ca8871d8",
       "rows": [
        [
         "56",
         "SLM:000000262",
         "Class",
         "1,2-diacyl-sn-glycerol",
         "1,2-sn-DAG | DAG | DG",
         "Diacylglycerol",
         "SLM:000000423",
         null,
         null,
         "OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C5H6O5R2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17815",
         null,
         null,
         "MNXM59",
         "10336610 | 10685032 | 10888667 | 10931938 | 11022048 | 12181444 | 14685263 | 14976195 | 15140260 | 15509571 | 15702972 | 15790568 | 15817490 | 15899900 | 15939762 | 16000311 | 1644792 | 16467296 | 16689792 | 17158099 | 17449912 | 17971454 | 17982138 | 18037386 | 18184806 | 18361507 | 18434318 | 1847919 | 19454763 | 19506037 | 20736081 | 20798281 | 21187285 | 22322963 | 23000145 | 7531435 | 7890667 | 8395015 | 8407970 | 8454637 | 8550586 | 8567632 | 8663293 | 8757862 | 9099673 | 9132017 | 9188725 | 9368028 | 9603941 | 9915823"
        ],
        [
         "114",
         "SLM:000000341",
         "Class",
         "1-acyl-sn-glycerol",
         "MAG | MG",
         "Monoacylglycerol",
         "SLM:000117130",
         null,
         null,
         "OC[C@H](O)COC([*])=O",
         "InChI=none",
         null,
         "C4H7O4R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64683",
         null,
         null,
         "MNXM2963",
         "10685032 | 15939762 | 18037386 | 8663293 | 9603941"
        ],
        [
         "122",
         "SLM:000000355",
         "Class",
         "2-acylglycerol",
         "MAG | MG",
         "Monoacylglycerol",
         "SLM:000000403",
         null,
         null,
         "OCC(CO)OC([*])=O",
         "InChI=none",
         null,
         "C4H7O4R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17389",
         null,
         null,
         "MNXM335",
         null
        ],
        [
         "146",
         "SLM:000000400",
         "Class",
         "Triacylglycerol",
         "TAG | TG",
         null,
         "SLM:000117141",
         null,
         null,
         "[*]C(=O)OCC(COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C6H5O6R3",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17855",
         null,
         null,
         "MNXM248",
         "12682047 | 16135509 | 16150821 | 21704635 | 27247428 | 29491250"
        ],
        [
         "147",
         "SLM:000000401",
         "Class",
         "Diacylglycerol",
         "DAG | DG",
         null,
         "SLM:000117140",
         null,
         null,
         "[*]OCC(CO[*])O[*]",
         "InChI=none",
         null,
         "C5H6O5R2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "18035",
         null,
         null,
         "MNXM59",
         "12682047 | 16135509 | 16150821 | 27247428 | 29491250"
        ],
        [
         "148",
         "SLM:000000403",
         "Class",
         "Monoacylglycerol",
         "MAG | MG",
         null,
         "SLM:000117139",
         null,
         null,
         "[*]OCC(CO[*])O[*]",
         "InChI=none",
         null,
         "C4H7O4R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17408",
         null,
         null,
         "MNXM2963",
         null
        ],
        [
         "188",
         "SLM:000000450",
         "Class",
         "1-O-alkyl-sn-glycerol",
         "MAG(O-) | MG(O-)",
         "Monoacylglycerol (O-)",
         "SLM:000117131",
         null,
         null,
         "OC[C@H](O)CO[*]",
         "InChI=none",
         null,
         "C3H7O3R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "15850",
         null,
         null,
         "MNXM1701",
         "15788404"
        ],
        [
         "282",
         "SLM:000000573",
         "Class",
         "1-O-alkyl-2-acyl-sn-glycerol",
         "DAG(O-) | DG(O-)",
         "Diacylglycerol (O-)",
         "SLM:000117133",
         null,
         null,
         "OC[C@@H](CO[*])OC([*])=O",
         "InChI=none",
         null,
         "C4H6O4R2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "52595",
         null,
         null,
         "MNXM90768",
         null
        ],
        [
         "304",
         "SLM:000000601",
         "Isomeric subspecies",
         "N-(2-hydroxytetracosanoyl)-sphinganine",
         "Cer(d18:0/24:0(2OH)) | Cer(d18:0/24:0-2OH)",
         "Ceramide (d18:0/24:0(2OH)) | N-(2-hydroxytetracosanoyl)-sphinganine | N-2-hydroxytetracosanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000830 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC",
         "InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41?/m0/s1",
         "InChIKey=DGORBCXEWSENPF-MOKHYRRWSA-N",
         "C42H85NO4",
         "0.0",
         "668.145",
         "667.64786",
         "667.647312",
         "668.655137",
         "706.611019",
         "690.637081",
         "674.663316",
         "685.681686",
         "666.640584",
         "702.617262",
         "726.661713",
         "52371",
         "LMSP02020033",
         null,
         null,
         "18541923"
        ],
        [
         "306",
         "SLM:000000603",
         "Isomeric subspecies",
         "N-(2-hydroxydocosanoyl)-sphinganine",
         "Cer(d18:0/22:0(2OH)) | Cer(d18:0/22:0-2OH)",
         "Ceramide (d18:0/22:0(2OH)) | N-(2-hydroxydocosanoyl)-sphinganine | N-2-hydroxydocosanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000828 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC",
         "InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h37-39,42-44H,3-36H2,1-2H3,(H,41,45)/t37-,38+,39?/m0/s1",
         "InChIKey=NNLQQNODNROHPW-BFNXHEPRSA-N",
         "C40H81NO4",
         "0.0",
         "640.091",
         "639.61656",
         "639.616012",
         "640.623837",
         "678.579718",
         "662.605781",
         "646.632016",
         "657.650386",
         "638.609284",
         "674.585961",
         "698.630413",
         "67023",
         "LMSP02020032",
         null,
         "MNXM106875",
         "18541923"
        ],
        [
         "308",
         "SLM:000000605",
         "Isomeric subspecies",
         "N-(2-hydroxyoctadecanoyl)-sphinganine",
         "Cer(d18:0/18:0(2OH)) | Cer(d18:0/18:0-2OH)",
         "Ceramide (d18:0/18:0(2OH)) | N-(2-hydroxyoctadecanoyl)-sphinganine | N-2-hydroxyoctadecanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000831 (n-acyl)",
         "CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC",
         "InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-40H,3-32H2,1-2H3,(H,37,41)/t33-,34+,35?/m0/s1",
         "InChIKey=TWVUZTCVZAHCIE-GWDKEWMYSA-N",
         "C36H73NO4",
         "0.0",
         "583.983",
         "583.55396",
         "583.553411",
         "584.561236",
         "622.517118",
         "606.543181",
         "590.569415",
         "601.587785",
         "582.546683",
         "618.523361",
         "642.567813",
         "67034",
         "LMSP02020030",
         null,
         null,
         "18541923"
        ],
        [
         "310",
         "SLM:000000607",
         "Isomeric subspecies",
         "N-(2-hydroxyhexadecanoyl)-sphinganine",
         "Cer(d18:0/16:0(2OH)) | Cer(d18:0/16:0-2OH)",
         "Ceramide (d18:0/16:0(2OH)) | N-(2-hydroxyhexadecanoyl)-sphinganine | N-2-hydroxyhexadecanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000389 (n-acyl)",
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)C(O)CCCCCCCCCCCCCC",
         "InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35,39)/t31-,32+,33?/m0/s1",
         "InChIKey=NQXMVCBJWMTLGK-XIWRNSNHSA-N",
         "C34H69NO4",
         "0.0",
         "555.929",
         "555.52266",
         "555.522111",
         "556.529936",
         "594.485818",
         "578.511881",
         "562.538115",
         "573.556485",
         "554.515383",
         "590.492061",
         "614.536513",
         "67043",
         "LMSP02020029",
         null,
         null,
         "18541923"
        ],
        [
         "524",
         "SLM:000000849",
         "Isomeric subspecies",
         "20-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate",
         "20H-(5Z,8Z,11Z,14Z)-ETE | 20-HETE",
         null,
         "SLM:000501319",
         null,
         null,
         "OCCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/p-1/b3-1-,6-4-,9-7-,12-10-",
         "InChIKey=NNDIXBJHNLFJJP-DTLRTWKJSA-M",
         "C20H31O3",
         "-1.0",
         "319.4583",
         "320.235145",
         "320.234596",
         "321.242421",
         "359.198303",
         "343.224366",
         "327.2506",
         "338.26897",
         "319.227868",
         "355.204546",
         "379.248998",
         "76624",
         "LMFA03060009",
         "HMDB05998",
         "MNXM6760",
         "10620324 | 10660572 | 14634044 | 14660610 | 15364545 | 16081420 | 16820285 | 17112342 | 17341693 | 18577768 | 24563460"
        ],
        [
         "534",
         "SLM:000000863",
         "Isomeric subspecies",
         "20-hydroxy-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate",
         "20-H-(5Z,8Z,11Z,14Z,17Z)-EPE | 20-HEPE",
         "omega-hydroxy-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate",
         "SLM:000501323",
         null,
         null,
         "OCCC=C/CC=C/CC=C/CC=C/CC=C/CCCC([O-])=O",
         "InChI=1S/C20H30O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12-13,15,21H,2,5,8,11,14,16-19H2,(H,22,23)/p-1/b3-1-,6-4-,9-7-,12-10-,15-13-",
         "PPMOWWAALQWWLJ-NUKMUHRASA-M",
         "C20H29O3",
         "-1.0",
         "317.4425",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76639",
         null,
         null,
         null,
         "16820285 | 17112342 | 18577768 | 22772592"
        ],
        [
         "573",
         "SLM:000000934",
         "Isomeric subspecies",
         "(9S)-hydroperoxy-(10E,12Z)-octadecadienoate",
         "(9S)-Hp-(10E,12Z)-ODE | (9S)-HpODE",
         null,
         "SLM:000501330",
         null,
         null,
         "CCCCC\\C=C/C=C/[C@H](CCCCCCCC([O-])=O)OO",
         "InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+/t17-/m1/s1",
         "InChIKey=JGUNZIWGNMQSBM-UINYOVNOSA-M",
         "C18H31O4",
         "-1.0",
         "311.4363",
         "312.23006",
         "312.229511",
         "313.237336",
         "351.193218",
         "335.219281",
         "319.245515",
         "330.263885",
         "311.222783",
         "347.199461",
         "371.243912",
         "60955",
         "LMFA02000012",
         "HMDB06940",
         "MNXM1867",
         "18949503 | 23233731 | 26264916 | 9305900"
        ],
        [
         "574",
         "SLM:000000935",
         "Isomeric subspecies",
         "(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate",
         "(15S)-Hp-(5Z,8Z,11Z,13E)-ETE | (15S)-HpETE",
         null,
         "SLM:000501320",
         null,
         null,
         "CCCCC[C@H](OO)\\C=C\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/p-1/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1",
         "InChIKey=BFWYTORDSFIVKP-VAEKSGALSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "57446",
         "LMFA03060014",
         "HMDB04244",
         "MNXM2314",
         "11278893 | 12704195 | 12881489 | 16112079 | 17459323 | 17493578 | 1944593 | 19737933 | 21068195 | 23242647 | 24282679 | 8188678 | 8334154 | 9177185 | 9261177"
        ],
        [
         "575",
         "SLM:000000936",
         "Isomeric subspecies",
         "(13S)-hydroperoxy-(9Z,11E)-octadecadienoate",
         "(13S)-Hp-(9Z,11E)-ODE | (13S)-HpODE",
         null,
         "SLM:000501330",
         null,
         null,
         "CCCCC[C@H](OO)\\C=C\\C=C/CCCCCCCC([O-])=O",
         "InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+/t17-/m0/s1",
         "InChIKey=JDSRHVWSAMTSSN-IRQZEAMPSA-M",
         "C18H31O4",
         "-1.0",
         "311.4363",
         "312.23006",
         "312.229511",
         "313.237336",
         "351.193218",
         "335.219281",
         "319.245515",
         "330.263885",
         "311.222783",
         "347.199461",
         "371.243912",
         "57466",
         "LMFA02000034",
         "HMDB03871",
         "MNXM2313",
         "11256953 | 16624487 | 20923767 | 21068195 | 8188678 | 8334154 | 8617728"
        ],
        [
         "580",
         "SLM:000000958",
         "Isomeric subspecies",
         "(9R)-hydroxy-(10E,12Z)-octadecadienoate",
         "(9R)-H-(10E,12Z)-ODE | (9R)-HODE",
         null,
         "SLM:000501329",
         null,
         null,
         "CCCCC\\C=C/C=C/[C@H](O)CCCCCCCC([O-])=O",
         "InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b8-6-,14-11+/t17-/m0/s1",
         "InChIKey=NPDSHTNEKLQQIJ-WXUVIADPSA-M",
         "C18H31O3",
         "-1.0",
         "295.4375",
         "296.235145",
         "296.234596",
         "297.242421",
         "335.198303",
         "319.224366",
         "303.2506",
         "314.26897",
         "295.227868",
         "331.204546",
         "355.248998",
         "77895",
         "LMFA02000036",
         "HMDB04670",
         "MNXM39481",
         "21558561 | 9866708"
        ],
        [
         "581",
         "SLM:000000959",
         "Isomeric subspecies",
         "(12R)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate",
         "(12R)-Hp-(5Z,8Z,10E,14Z)-ETE | (12R)-HpETE",
         null,
         "SLM:000501320",
         null,
         null,
         "CCCCC\\C=C/C[C@@H](OO)\\C=C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1",
         "InChIKey=ZIOZYRSDNLNNNJ-ZYBDYUKJSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75230",
         "LMFA03060070",
         "HMDB04692",
         "MNXM9678",
         "12881489 | 9618483 | 9837935"
        ],
        [
         "582",
         "SLM:000000960",
         "Isomeric subspecies",
         "(11R,12R)-hepoxilin A3 (8R)",
         "(8R)-H-(11R,12R)-Ep-(5Z,9E,14Z)-ETrE | (8R)-H-(11R,12R)-EpETrE | (8R)-HEpETrE",
         "(8R)-hydroxy-(11R,12R)-epoxy-(5Z,9E,14Z)-eicosatrienoate",
         "SLM:000508840",
         null,
         null,
         "CCCCC\\C=C/C[C@H]1O[C@@H]1\\C=C\\[C@H](O)C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/p-1/b9-7-,10-6-,16-15+/t17-,18-,19-/m1/s1",
         "InChIKey=SGTUOBURCVMACZ-WHKAPZRYSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75232",
         null,
         null,
         "MNXM146463",
         "12881489"
        ],
        [
         "583",
         "SLM:000000961",
         "Isomeric subspecies",
         "(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate",
         "(12S)-Hp-(5Z,8Z,10E,14Z)-ETE | (12S)-HpETE",
         null,
         "SLM:000501320",
         null,
         null,
         "CCCCC\\C=C/C[C@H](OO)\\C=C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1",
         "InChIKey=ZIOZYRSDNLNNNJ-LQWMCKPYSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "57444",
         "LMFA03060013",
         "HMDB04243",
         "MNXM2765",
         "11115402 | 11256953 | 11278893 | 12881489 | 15123652 | 17493578 | 1944593 | 21068195 | 22984144 | 24282679 | 8188678 | 9195979"
        ],
        [
         "584",
         "SLM:000000962",
         "Isomeric subspecies",
         "(11R,12S)-hepoxilin A3 (8R)",
         "(8R)-H-(11R,12S)-Ep-(5Z,9E,14Z)-ETrE | (8R)-H-(11R,12S)-EpETrE | (8R)-HEpETrE",
         "(8R)-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoate",
         "SLM:000508840",
         null,
         null,
         "CCCCC\\C=C/C[C@@H]1O[C@H]1\\C=C\\[C@H](O)C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/p-1/b9-7-,10-6-,16-15+/t17-,18+,19+/m1/s1",
         "InChIKey=SGTUOBURCVMACZ-MEVKQHDMSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75233",
         null,
         null,
         "MNXM146464",
         "12881489"
        ],
        [
         "585",
         "SLM:000000963",
         "Isomeric subspecies",
         "(14S,15S)-hepoxilin B3 (13R)",
         "(13R)-H-(14S,15S)-Ep-(5Z,8Z,11Z)-ETrE | (13R)-H-(14S,15S)-EpETrE | (13R)-HEpETrE",
         "(13R)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-eicosatrienoate",
         "SLM:000508840",
         null,
         null,
         "CCCCC[C@@H]1O[C@H]1[C@H](O)\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/p-1/b7-5-,8-6-,14-12-/t17-,18+,20+/m1/s1",
         "InChIKey=FMRVHRPEVIVXKX-ZJIVTKJASA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75235",
         "LMFA03090006",
         null,
         "MNXM33366",
         "12881489 | 19737933"
        ],
        [
         "586",
         "SLM:000000964",
         "Isomeric subspecies",
         "(11S,12S)-hepoxilin B3 (10R)",
         "(10R)-H-(11S,12S)-Ep-(5Z,8Z,14Z)-ETrE | (10R)-H-(11S,12S)-EpETrE | (10R)-HEpETrE",
         "(10R)-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate",
         "SLM:000508840",
         null,
         null,
         "CCCCC\\C=C/C[C@@H]1O[C@H]1[C@H](O)\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,12-9-,14-11-/t17-,18+,20+/m1/s1",
         "InChIKey=DWNBPRRXEVJMPO-OANGEUSWSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75234",
         null,
         null,
         "MNXM162877",
         "12881489"
        ],
        [
         "587",
         "SLM:000000965",
         "Isomeric subspecies",
         "(8S)-hydroperoxy-(5Z,9E,11Z,14Z)-eicosatetraenoate",
         "(8S)-Hp-(5Z,9E,11Z,14Z)-ETE | (8S)-Hp-(5Z,9E,11Z,14Z)-ETE | (8S)-HpETE",
         null,
         "SLM:000501320",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C=C/[C@H](C\\C=C/CCCC([O-])=O)OO",
         "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1",
         "InChIKey=QQUFCXFFOZDXLA-VYOQERLCSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75322",
         "LMFA03060073",
         "HMDB04699",
         "MNXM91461",
         "10965849 | 15558016 | 16112079 | 16143298 | 17045234 | 9305900"
        ],
        [
         "588",
         "SLM:000000966",
         "Isomeric subspecies",
         "(8S,9S)-hepoxilin A3 (10R)",
         "(10R)-H-(8S,9S)-Ep-(5Z,11Z,14Z)-ETrE | (10R)-H-(8S,9S)-EpETrE | (10R)-HEpETrE",
         "(10R)-hydroxy-(8S,9S)-epoxy-(5Z,11Z,14Z)-eicosatrienoate",
         "SLM:000508840",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/[C@H](O)[C@H]1O[C@H]1C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-11-14-17(21)20-18(24-20)15-12-9-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,12-9-,14-11-/t17-,18-,20+/m0/s1",
         "InChIKey=WWOUHSVXNYZFBQ-MCRRFWBCSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "75327",
         null,
         null,
         "MNXM146486",
         "17045234"
        ],
        [
         "589",
         "SLM:000000967",
         "Isomeric subspecies",
         "(8R)-hydroperoxy-(5Z,9E,11Z,14Z)-eicosatetraenoate",
         "(8R)-Hp-(5Z,9E,11Z,14Z)-ETE | (8R)-HpETE",
         null,
         "SLM:000501320",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C=C/[C@@H](C\\C=C/CCCC([O-])=O)OO",
         "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1",
         "InChIKey=QQUFCXFFOZDXLA-GTYUHVKWSA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "57447",
         "LMFA03060037",
         "HMDB04699",
         "MNXM3200",
         "10559269 | 17045234 | 9302294"
        ],
        [
         "590",
         "SLM:000000968",
         "Isomeric subspecies",
         "8-oxo-(5Z,9E,11Z,14Z)-eicosatetraenoate",
         "8-oxo-(5Z,9E,11Z,14Z)-ETE | 8-keto-(5Z,9E,11Z,14Z)-ETE | 8-oxo-(5Z,9E,11Z,14Z)-ETE | 8-oxo-ETE | 8-keto-(5Z,9E,11Z,14Z)-ETE | 8-keto-ETE | 8-KETE ",
         "8-keto-(5Z,9E,11Z,14Z)-eicosatetraenoate",
         "SLM:000501313",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C=C/C(=O)C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,14-11-,16-13+",
         "InChIKey=ULAXHDZCBOQYGV-HEJOTXCHSA-M",
         "C20H29O3",
         "-1.0",
         "317.4425",
         "318.219495",
         "318.218946",
         "319.226771",
         "357.182653",
         "341.208716",
         "325.23495",
         "336.25332",
         "317.212218",
         "353.188896",
         "377.233348",
         "75326",
         "LMFA03060057",
         null,
         "MNXM26601",
         "17045234 | 18977231"
        ],
        [
         "591",
         "SLM:000000969",
         "Isomeric subspecies",
         "(5S)-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate",
         "(5S)-Hp-(6E,8Z,11Z,14Z)-ETE | (5S)-HpETE",
         null,
         "SLM:000501320",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C\\C=C/C=C/[C@H](CCCC([O-])=O)OO",
         "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",
         "InChIKey=JNUUNUQHXIOFDA-JGKLHWIESA-M",
         "C20H31O4",
         "-1.0",
         "335.4577",
         "336.23006",
         "336.229511",
         "337.237336",
         "375.193218",
         "359.219281",
         "343.245515",
         "354.263885",
         "335.222783",
         "371.199461",
         "395.243912",
         "57450",
         "LMFA03060012",
         "HMDB01193",
         "MNXM808",
         "17045234 | 21068195 | 24282679 | 24893149 | 27145229 | 31664810 | 8615788 | 8631361 | 9278457"
        ],
        [
         "598",
         "SLM:000000981",
         "Class",
         "Monoalkyldiacylglycerol",
         "TAG(O-) | TG(O-)",
         "Triacylglycerol (O-)",
         "SLM:000117141",
         null,
         null,
         "[*]OCC(CO[*])O[*]",
         "InChI=none",
         null,
         "C5H5O5R3",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76584",
         null,
         null,
         "MNXM158094",
         null
        ],
        [
         "602",
         "SLM:000000987",
         "Isomeric subspecies",
         "Trioxilin A3",
         "(8,11R,12S)-TriH-(5Z,9E,14Z)-ETrE | (8,11R,12S)-TriHETrE",
         "(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate",
         "SLM:000501319",
         null,
         null,
         "CCCCC\\C=C/C[C@H](O)[C@H](O)\\C=C\\C(O)C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1",
         "InChIKey=WPLPEZUSILBTGP-CIQDQOFUSA-M",
         "C20H33O5",
         "-1.0",
         "353.4736",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78100",
         null,
         "HMDB01977",
         null,
         "21217101"
        ],
        [
         "603",
         "SLM:000000988",
         "Isomeric subspecies",
         "(11S,12S)-hepoxilin B3 (8S)",
         "(8S)-H-(11S,12S)-Ep-(5Z,8Z,14Z)-ETrE | (8S)-H-(11S,12S)-EpETrE | (8S)-HEpETrE",
         "10-hydroxy-(11S,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate",
         "SLM:000508840",
         null,
         null,
         "CCCCC\\C=C/C[C@@H]1O[C@@H]1C(O)\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/p-1/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1",
         "InChIKey=DWNBPRRXEVJMPO-YZTVQBIISA-M",
         "C20H31O4",
         "-1.0",
         "335.4583",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78084",
         null,
         "HMDB04690",
         null,
         "21217101"
        ],
        [
         "604",
         "SLM:000000989",
         "Isomeric subspecies",
         "Trioxilin B3",
         "(10,11S,12R)-TriH-(5Z,8Z,14Z)-ETrE | (10,11S,12R)-TriHETrE",
         "(10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-eicosatrienoate",
         "SLM:000501319",
         null,
         null,
         "CCCCC\\C=C/C[C@@H](O)[C@H](O)C(O)\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/p-1/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1",
         "InChIKey=GOHNIXDAQODZKP-OZPSOFALSA-M",
         "C20H33O5",
         "-1.0",
         "353.4736",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78099",
         null,
         "HMDB01965",
         null,
         "21217101"
        ],
        [
         "605",
         "SLM:000000990",
         "Isomeric subspecies",
         "(8S)-hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoate",
         "(8S)-H-(5Z,9E,11Z,14Z)-ETE | (8S)-HETE",
         null,
         "SLM:000501319",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C=C/[C@@H](O)C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1",
         "InChIKey=NLUNAYAEIJYXRB-VYOQERLCSA-M",
         "C20H31O3",
         "-1.0",
         "319.4589",
         "320.235145",
         "320.234596",
         "321.242421",
         "359.198303",
         "343.224366",
         "327.2506",
         "338.26897",
         "319.227868",
         "355.204546",
         "379.248998",
         "77934",
         "LMFA03060006",
         "HMDB04679",
         "MNXM489469",
         "10965849 | 15558016 | 16112079"
        ],
        [
         "615",
         "SLM:000001009",
         "Class",
         "Ganglioside GD1a (d18:1(4E))",
         "GD1a(d18:1(4E)) | MG(12:0/0:0/0:0)",
         "alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide | alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine | Ganglioside GD1a (d18:1(4E))",
         "SLM:000389150",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C67H111N4O39R",
         "-2.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78445",
         null,
         null,
         "MNXM2140",
         "10405317 | 10702226 | 11298736 | 11980897 | 14970224 | 15847605 | 8288606 | 8706663 | 8910600 | 8920913 | 9199191 | 9266697"
        ],
        [
         "58935",
         "SLM:000059414",
         "Molecular subspecies",
         "Phosphatidate (10:0_0:0)",
         "LPA(10:0_0:0) | PA(10:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055220",
         "SLM:000001255 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C13H25O7P",
         "-2.0",
         "324.308289",
         "326.149445",
         "326.148895",
         "327.156708",
         "365.11261",
         "349.138672",
         "333.164886",
         "344.183258",
         "325.142151",
         "361.118835",
         "385.1633",
         null,
         null,
         null,
         "MNXM589309",
         null
        ],
        [
         "58995",
         "SLM:000059474",
         "Molecular subspecies",
         "Phosphatidate (12:0_0:0)",
         "LPA(12:0_0:0) | PA(12:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055221",
         "SLM:000001256 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C15H29O7P",
         "-2.0",
         "352.361389",
         "354.180725",
         "354.180176",
         "355.188019",
         "393.14389",
         "377.169952",
         "361.196198",
         "372.214569",
         "353.173462",
         "389.150146",
         "413.19458",
         null,
         null,
         null,
         "MNXM589436",
         null
        ],
        [
         "59054",
         "SLM:000059533",
         "Molecular subspecies",
         "Phosphatidate (13:0_0:0)",
         "LPA(13:0_0:0) | PA(13:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055222",
         "SLM:000001257 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C16H31O7P",
         "-2.0",
         "366.388",
         "368.196381",
         "368.195831",
         "369.203674",
         "407.159546",
         "391.185608",
         "375.211853",
         "386.230225",
         "367.189117",
         "403.165802",
         "427.210236",
         null,
         null,
         null,
         "MNXM589561",
         null
        ],
        [
         "59112",
         "SLM:000059591",
         "Molecular subspecies",
         "Phosphatidate (14:0_0:0)",
         "LPA(14:0_0:0) | PA(14:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055223",
         "SLM:000001258 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C17H33O7P",
         "-2.0",
         "380.414612",
         "382.212036",
         "382.211487",
         "383.21933",
         "421.175201",
         "405.201263",
         "389.227509",
         "400.24588",
         "381.204773",
         "417.181427",
         "441.225891",
         null,
         null,
         null,
         "MNXM531084",
         null
        ],
        [
         "59169",
         "SLM:000059648",
         "Molecular subspecies",
         "Phosphatidate (14:1_0:0)",
         "LPA(14:1_0:0) | PA(14:1_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055224",
         "SLM:000001259 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C17H31O7P",
         "-2.0",
         "378.398712",
         "380.196381",
         "380.195831",
         "381.203674",
         "419.159546",
         "403.185608",
         "387.211853",
         "398.230225",
         "379.189117",
         "415.165802",
         "439.210236",
         null,
         null,
         null,
         "MNXM589805",
         null
        ],
        [
         "59225",
         "SLM:000059704",
         "Molecular subspecies",
         "Phosphatidate (15:0_0:0)",
         "LPA(15:0_0:0) | PA(15:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055225",
         "SLM:000001260 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C18H35O7P",
         "-2.0",
         "394.441193",
         "396.227692",
         "396.227142",
         "397.234955",
         "435.190857",
         "419.216919",
         "403.243134",
         "414.261505",
         "395.220428",
         "431.197083",
         "455.241547",
         null,
         null,
         null,
         "MNXM589927",
         null
        ],
        [
         "59280",
         "SLM:000059759",
         "Molecular subspecies",
         "Phosphatidate (16:0_0:0)",
         "LPA(16:0_0:0) | PA(16:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055226",
         "SLM:000001261 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C19H37O7P",
         "-2.0",
         "408.467712",
         "410.243347",
         "410.242798",
         "411.25061",
         "449.206512",
         "433.232574",
         "417.258789",
         "428.277161",
         "409.236053",
         "445.212738",
         "469.257202",
         null,
         null,
         null,
         "MNXM531085",
         null
        ],
        [
         "59334",
         "SLM:000059813",
         "Molecular subspecies",
         "Phosphatidate (16:1_0:0)",
         "LPA(16:1_0:0) | PA(16:1_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055227",
         "SLM:000001262 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C19H35O7P",
         "-2.0",
         "406.451904",
         "408.227692",
         "408.227142",
         "409.234955",
         "447.190857",
         "431.216919",
         "415.243134",
         "426.261505",
         "407.220428",
         "443.197083",
         "467.241547",
         null,
         null,
         null,
         "MNXM590167",
         null
        ],
        [
         "59387",
         "SLM:000059866",
         "Molecular subspecies",
         "Phosphatidate (16:2_0:0)",
         "LPA(16:2_0:0) | PA(16:2_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055228",
         "SLM:000001263 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C19H33O7P",
         "-2.0",
         "404.436005",
         "406.212036",
         "406.211487",
         "407.21933",
         "445.175201",
         "429.201263",
         "413.227509",
         "424.24588",
         "405.204773",
         "441.181427",
         "465.225891",
         null,
         null,
         null,
         "MNXM590285",
         null
        ],
        [
         "59439",
         "SLM:000059918",
         "Molecular subspecies",
         "Phosphatidate (17:0_0:0)",
         "LPA(17:0_0:0) | PA(17:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055229",
         "SLM:000001264 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C20H39O7P",
         "-2.0",
         "422.494293",
         "424.259003",
         "424.258453",
         "425.266266",
         "463.222137",
         "447.248199",
         "431.274445",
         "442.292816",
         "423.251709",
         "459.228394",
         "483.272858",
         null,
         null,
         null,
         "MNXM590403",
         null
        ],
        [
         "59490",
         "SLM:000059969",
         "Molecular subspecies",
         "Phosphatidate (18:0_0:0)",
         "LPA(18:0_0:0) | PA(18:0_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055230",
         "SLM:000001265 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C21H41O7P",
         "-2.0",
         "436.520905",
         "438.274628",
         "438.274078",
         "439.281921",
         "477.237793",
         "461.263855",
         "445.2901",
         "456.308472",
         "437.267365",
         "473.244049",
         "497.288483",
         null,
         null,
         null,
         "MNXM531086",
         null
        ],
        [
         "59540",
         "SLM:000060019",
         "Molecular subspecies",
         "Phosphatidate (18:1_0:0)",
         "LPA(18:1_0:0) | PA(18:1_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055231",
         "SLM:000001266 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C21H39O7P",
         "-2.0",
         "434.505005",
         "436.259003",
         "436.258453",
         "437.266266",
         "475.222137",
         "459.248199",
         "443.274445",
         "454.292816",
         "435.251709",
         "471.228394",
         "495.272858",
         null,
         null,
         null,
         "MNXM590634",
         null
        ],
        [
         "59589",
         "SLM:000060068",
         "Molecular subspecies",
         "Phosphatidate (18:2_0:0)",
         "LPA(18:2_0:0) | PA(18:2_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055232",
         "SLM:000001267 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C21H37O7P",
         "-2.0",
         "432.489105",
         "434.243347",
         "434.242798",
         "435.25061",
         "473.206512",
         "457.232574",
         "441.258789",
         "452.277161",
         "433.236053",
         "469.212738",
         "493.257202",
         null,
         null,
         null,
         "MNXM590749",
         null
        ],
        [
         "59637",
         "SLM:000060116",
         "Molecular subspecies",
         "Phosphatidate (18:3_0:0)",
         "LPA(18:3_0:0) | PA(18:3_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055233",
         "SLM:000001268 (sn1 or sn2 or sn3)",
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C21H35O7P",
         "-2.0",
         "430.473297",
         "432.227692",
         "432.227142",
         "433.234955",
         "471.190857",
         "455.216919",
         "439.243134",
         "450.261505",
         "431.220428",
         "467.197083",
         "491.241547",
         null,
         null,
         null,
         "MNXM590862",
         null
        ],
        [
         "59684",
         "SLM:000060163",
         "Molecular subspecies",
         "Phosphatidate (18:4_0:0)",
         "LPA(18:4_0:0) | PA(18:4_0:0)",
         null,
         "SLM:000055199",
         "SLM:000055234",
         null,
         "[O-]P([O-])(=O)OCC(CO[*])O[*]",
         "InChI=none",
         "InChIKey=none",
         "C21H33O7P",
         "-2.0",
         "428.457397",
         "430.212036",
         "430.211487",
         "431.21933",
         "469.175201",
         "453.201263",
         "437.227509",
         "448.24588",
         "429.204773",
         "465.181427",
         "489.225891",
         null,
         null,
         null,
         "MNXM590974",
         null
        ]
       ],
       "shape": {
        "columns": 29,
        "rows": 9768
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      },
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>56</th>\n",
       "      <td>SLM:000000262</td>\n",
       "      <td>Class</td>\n",
       "      <td>1,2-diacyl-sn-glycerol</td>\n",
       "      <td>1,2-sn-DAG | DAG | DG</td>\n",
       "      <td>Diacylglycerol</td>\n",
       "      <td>SLM:000000423</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>OC[C@@H](COC([*])=O)OC([*])=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17815</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM59</td>\n",
       "      <td>10336610 | 10685032 | 10888667 | 10931938 | 11...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>114</th>\n",
       "      <td>SLM:000000341</td>\n",
       "      <td>Class</td>\n",
       "      <td>1-acyl-sn-glycerol</td>\n",
       "      <td>MAG | MG</td>\n",
       "      <td>Monoacylglycerol</td>\n",
       "      <td>SLM:000117130</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>OC[C@H](O)COC([*])=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>64683</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM2963</td>\n",
       "      <td>10685032 | 15939762 | 18037386 | 8663293 | 960...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>122</th>\n",
       "      <td>SLM:000000355</td>\n",
       "      <td>Class</td>\n",
       "      <td>2-acylglycerol</td>\n",
       "      <td>MAG | MG</td>\n",
       "      <td>Monoacylglycerol</td>\n",
       "      <td>SLM:000000403</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>OCC(CO)OC([*])=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17389</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM335</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>146</th>\n",
       "      <td>SLM:000000400</td>\n",
       "      <td>Class</td>\n",
       "      <td>Triacylglycerol</td>\n",
       "      <td>TAG | TG</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000117141</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[*]C(=O)OCC(COC([*])=O)OC([*])=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17855</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM248</td>\n",
       "      <td>12682047 | 16135509 | 16150821 | 21704635 | 27...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>147</th>\n",
       "      <td>SLM:000000401</td>\n",
       "      <td>Class</td>\n",
       "      <td>Diacylglycerol</td>\n",
       "      <td>DAG | DG</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000117140</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[*]OCC(CO[*])O[*]</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18035</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM59</td>\n",
       "      <td>12682047 | 16135509 | 16150821 | 27247428 | 29...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>505694</th>\n",
       "      <td>SLM:000508489</td>\n",
       "      <td>Molecular subspecies</td>\n",
       "      <td>Phosphatidylglycerol (O-17:1_0:0)</td>\n",
       "      <td>LPG(O-17:1_0:0) | PG(O-17:1_0:0)</td>\n",
       "      <td>Lysophosphatidylglycerol (O-17:1_0:0)</td>\n",
       "      <td>SLM:000508807</td>\n",
       "      <td>SLM:000508779</td>\n",
       "      <td>SLM:000001333 (sn1 or sn2 or sn3)</td>\n",
       "      <td>OCC(O)COP([O-])(=O)OCC(CO[*])O[*]</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>489.316311</td>\n",
       "      <td>500.334681</td>\n",
       "      <td>481.293579</td>\n",
       "      <td>517.270257</td>\n",
       "      <td>541.314708</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM629334</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>505695</th>\n",
       "      <td>SLM:000508490</td>\n",
       "      <td>Molecular subspecies</td>\n",
       "      <td>Phosphatidylglycerol (O-15:1_0:0)</td>\n",
       "      <td>LPG(O-15:1_0:0) | PG(O-15:1_0:0)</td>\n",
       "      <td>Lysophosphatidylglycerol (O-15:1_0:0)</td>\n",
       "      <td>SLM:000508807</td>\n",
       "      <td>SLM:000508775</td>\n",
       "      <td>SLM:000001331 (sn1 or sn2 or sn3)</td>\n",
       "      <td>OCC(O)COP([O-])(=O)OCC(CO[*])O[*]</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>461.285011</td>\n",
       "      <td>472.303381</td>\n",
       "      <td>453.262279</td>\n",
       "      <td>489.238957</td>\n",
       "      <td>513.283408</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM628940</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>505696</th>\n",
       "      <td>SLM:000508491</td>\n",
       "      <td>Molecular subspecies</td>\n",
       "      <td>Phosphatidylglycerol (O-13:1_0:0)</td>\n",
       "      <td>LPG(O-13:1_0:0) | PG(O-13:1_0:0)</td>\n",
       "      <td>Lysophosphatidylglycerol (O-13:1_0:0)</td>\n",
       "      <td>SLM:000508807</td>\n",
       "      <td>SLM:000508771</td>\n",
       "      <td>SLM:000001329 (sn1 or sn2 or sn3)</td>\n",
       "      <td>OCC(O)COP([O-])(=O)OCC(CO[*])O[*]</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>433.253711</td>\n",
       "      <td>444.272081</td>\n",
       "      <td>425.230979</td>\n",
       "      <td>461.207657</td>\n",
       "      <td>485.252108</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM628548</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595061</th>\n",
       "      <td>SLM:000597889</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>7-oxoresolvin D2</td>\n",
       "      <td>7-oxo-RvD2| 7-keto-RvD2</td>\n",
       "      <td>(16R,17S)-dihydroxy-7-oxo-(4Z,8E,10Z,12E,14E,1...</td>\n",
       "      <td>SLM:000508853 | SLM:000782222</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>C(C/C=C\\CC(/C=C/C=C\\C=C\\C=C\\[C@H]([C@H](C/C=C\\...</td>\n",
       "      <td>InChI=1S/C22H30O5/c1-2-3-9-16-20(24)21(25)17-1...</td>\n",
       "      <td>...</td>\n",
       "      <td>381.224780</td>\n",
       "      <td>392.243150</td>\n",
       "      <td>373.202048</td>\n",
       "      <td>409.178725</td>\n",
       "      <td>433.223177</td>\n",
       "      <td>137497</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>22844113</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595062</th>\n",
       "      <td>SLM:000597890</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>16-oxoresolvin D2</td>\n",
       "      <td>16-oxo-RvD2| 16-keto-RvD2</td>\n",
       "      <td>(7S,17S)-dihydroxy-16-oxo-(4Z,8E,10Z,12E,14E,1...</td>\n",
       "      <td>SLM:000508853 | SLM:000782222</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>C(C/C=C\\C[C@@H](\\C=C\\C=C/C=C/C=C/C([C@H](C/C=C...</td>\n",
       "      <td>InChI=1S/C22H30O5/c1-2-3-9-16-20(24)21(25)17-1...</td>\n",
       "      <td>...</td>\n",
       "      <td>381.224780</td>\n",
       "      <td>392.243150</td>\n",
       "      <td>373.202048</td>\n",
       "      <td>409.178725</td>\n",
       "      <td>433.223177</td>\n",
       "      <td>137498</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>22844113</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>9768 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                 Level  \\\n",
       "56      SLM:000000262                 Class   \n",
       "114     SLM:000000341                 Class   \n",
       "122     SLM:000000355                 Class   \n",
       "146     SLM:000000400                 Class   \n",
       "147     SLM:000000401                 Class   \n",
       "...               ...                   ...   \n",
       "505694  SLM:000508489  Molecular subspecies   \n",
       "505695  SLM:000508490  Molecular subspecies   \n",
       "505696  SLM:000508491  Molecular subspecies   \n",
       "595061  SLM:000597889   Isomeric subspecies   \n",
       "595062  SLM:000597890   Isomeric subspecies   \n",
       "\n",
       "                                     Name                     Abbreviation*  \\\n",
       "56                 1,2-diacyl-sn-glycerol             1,2-sn-DAG | DAG | DG   \n",
       "114                    1-acyl-sn-glycerol                          MAG | MG   \n",
       "122                        2-acylglycerol                          MAG | MG   \n",
       "146                       Triacylglycerol                          TAG | TG   \n",
       "147                        Diacylglycerol                          DAG | DG   \n",
       "...                                   ...                               ...   \n",
       "505694  Phosphatidylglycerol (O-17:1_0:0)  LPG(O-17:1_0:0) | PG(O-17:1_0:0)   \n",
       "505695  Phosphatidylglycerol (O-15:1_0:0)  LPG(O-15:1_0:0) | PG(O-15:1_0:0)   \n",
       "505696  Phosphatidylglycerol (O-13:1_0:0)  LPG(O-13:1_0:0) | PG(O-13:1_0:0)   \n",
       "595061                   7-oxoresolvin D2           7-oxo-RvD2| 7-keto-RvD2   \n",
       "595062                  16-oxoresolvin D2         16-oxo-RvD2| 16-keto-RvD2   \n",
       "\n",
       "                                                Synonyms*  \\\n",
       "56                                         Diacylglycerol   \n",
       "114                                      Monoacylglycerol   \n",
       "122                                      Monoacylglycerol   \n",
       "146                                                   NaN   \n",
       "147                                                   NaN   \n",
       "...                                                   ...   \n",
       "505694              Lysophosphatidylglycerol (O-17:1_0:0)   \n",
       "505695              Lysophosphatidylglycerol (O-15:1_0:0)   \n",
       "505696              Lysophosphatidylglycerol (O-13:1_0:0)   \n",
       "595061  (16R,17S)-dihydroxy-7-oxo-(4Z,8E,10Z,12E,14E,1...   \n",
       "595062  (7S,17S)-dihydroxy-16-oxo-(4Z,8E,10Z,12E,14E,1...   \n",
       "\n",
       "                         Lipid class*         Parent  \\\n",
       "56                      SLM:000000423            NaN   \n",
       "114                     SLM:000117130            NaN   \n",
       "122                     SLM:000000403            NaN   \n",
       "146                     SLM:000117141            NaN   \n",
       "147                     SLM:000117140            NaN   \n",
       "...                               ...            ...   \n",
       "505694                  SLM:000508807  SLM:000508779   \n",
       "505695                  SLM:000508807  SLM:000508775   \n",
       "505696                  SLM:000508807  SLM:000508771   \n",
       "595061  SLM:000508853 | SLM:000782222            NaN   \n",
       "595062  SLM:000508853 | SLM:000782222            NaN   \n",
       "\n",
       "                              Components*  \\\n",
       "56                                    NaN   \n",
       "114                                   NaN   \n",
       "122                                   NaN   \n",
       "146                                   NaN   \n",
       "147                                   NaN   \n",
       "...                                   ...   \n",
       "505694  SLM:000001333 (sn1 or sn2 or sn3)   \n",
       "505695  SLM:000001331 (sn1 or sn2 or sn3)   \n",
       "505696  SLM:000001329 (sn1 or sn2 or sn3)   \n",
       "595061                                NaN   \n",
       "595062                                NaN   \n",
       "\n",
       "                                           SMILES (pH7.3)  \\\n",
       "56                          OC[C@@H](COC([*])=O)OC([*])=O   \n",
       "114                                  OC[C@H](O)COC([*])=O   \n",
       "122                                      OCC(CO)OC([*])=O   \n",
       "146                      [*]C(=O)OCC(COC([*])=O)OC([*])=O   \n",
       "147                                     [*]OCC(CO[*])O[*]   \n",
       "...                                                   ...   \n",
       "505694                  OCC(O)COP([O-])(=O)OCC(CO[*])O[*]   \n",
       "505695                  OCC(O)COP([O-])(=O)OCC(CO[*])O[*]   \n",
       "505696                  OCC(O)COP([O-])(=O)OCC(CO[*])O[*]   \n",
       "595061  C(C/C=C\\CC(/C=C/C=C\\C=C\\C=C\\[C@H]([C@H](C/C=C\\...   \n",
       "595062  C(C/C=C\\C[C@@H](\\C=C\\C=C/C=C/C=C/C([C@H](C/C=C...   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "56                                             InChI=none  ...   \n",
       "114                                            InChI=none  ...   \n",
       "122                                            InChI=none  ...   \n",
       "146                                            InChI=none  ...   \n",
       "147                                            InChI=none  ...   \n",
       "...                                                   ...  ...   \n",
       "505694                                         InChI=none  ...   \n",
       "505695                                         InChI=none  ...   \n",
       "505696                                         InChI=none  ...   \n",
       "595061  InChI=1S/C22H30O5/c1-2-3-9-16-20(24)21(25)17-1...  ...   \n",
       "595062  InChI=1S/C22H30O5/c1-2-3-9-16-20(24)21(25)17-1...  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "56                      NaN                   NaN                  NaN   \n",
       "114                     NaN                   NaN                  NaN   \n",
       "122                     NaN                   NaN                  NaN   \n",
       "146                     NaN                   NaN                  NaN   \n",
       "147                     NaN                   NaN                  NaN   \n",
       "...                     ...                   ...                  ...   \n",
       "505694           489.316311            500.334681           481.293579   \n",
       "505695           461.285011            472.303381           453.262279   \n",
       "505696           433.253711            444.272081           425.230979   \n",
       "595061           381.224780            392.243150           373.202048   \n",
       "595062           381.224780            392.243150           373.202048   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-    CHEBI  LIPID MAPS  \\\n",
       "56                       NaN                     NaN   17815         NaN   \n",
       "114                      NaN                     NaN   64683         NaN   \n",
       "122                      NaN                     NaN   17389         NaN   \n",
       "146                      NaN                     NaN   17855         NaN   \n",
       "147                      NaN                     NaN   18035         NaN   \n",
       "...                      ...                     ...     ...         ...   \n",
       "505694            517.270257              541.314708     NaN         NaN   \n",
       "505695            489.238957              513.283408     NaN         NaN   \n",
       "505696            461.207657              485.252108     NaN         NaN   \n",
       "595061            409.178725              433.223177  137497         NaN   \n",
       "595062            409.178725              433.223177  137498         NaN   \n",
       "\n",
       "        HMDB    MetaNetX                                               PMID  \n",
       "56       NaN      MNXM59  10336610 | 10685032 | 10888667 | 10931938 | 11...  \n",
       "114      NaN    MNXM2963  10685032 | 15939762 | 18037386 | 8663293 | 960...  \n",
       "122      NaN     MNXM335                                                NaN  \n",
       "146      NaN     MNXM248  12682047 | 16135509 | 16150821 | 21704635 | 27...  \n",
       "147      NaN      MNXM59  12682047 | 16135509 | 16150821 | 27247428 | 29...  \n",
       "...      ...         ...                                                ...  \n",
       "505694   NaN  MNXM629334                                                NaN  \n",
       "505695   NaN  MNXM628940                                                NaN  \n",
       "505696   NaN  MNXM628548                                                NaN  \n",
       "595061   NaN         NaN                                           22844113  \n",
       "595062   NaN         NaN                                           22844113  \n",
       "\n",
       "[9768 rows x 29 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (|) in Synonyms*\n",
      "Found 19853 rows with split characters\n"
     ]
    },
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Name",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Abbreviation*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Synonyms*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Lipid class*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Components*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "SMILES (pH7.3)",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "LIPID MAPS",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "HMDB",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "MetaNetX",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "PMID",
         "rawType": "object",
         "type": "unknown"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "d7c62d28-0a61-40db-809a-3b8520c0c01d",
       "rows": [
        [
         "11",
         "SLM:000000101",
         "Class",
         "1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)",
         "PA",
         "1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate) | Phosphatidylglycerophosphate",
         "SLM:000477285",
         null,
         null,
         "O[C@@H](COP([O-])([O-])=O)COP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C8H11O13P2R2",
         "-3.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "60110",
         null,
         null,
         "MNXM871",
         "20485265 | 9880566"
        ],
        [
         "17",
         "SLM:000000147",
         "Isomeric subspecies",
         "N-(9Z-octadecenoyl)-ethanolamine",
         "NAE (18:1(9Z))",
         "(9Z-octadecenoyl)-ethanolamide | N-(9Z-octadecenoyl) ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCCCC\\C=C/CCCCCCCC(=O)NCCO",
         "InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",
         "InChIKey=BOWVQLFMWHZBEF-KTKRTIGZSA-N",
         "C20H39NO2",
         "0.0",
         "325.5292",
         "325.29808",
         "325.297531",
         "326.305356",
         "364.261238",
         "348.287301",
         "332.313535",
         "343.331905",
         "324.290803",
         "360.267481",
         "384.311932",
         "71466",
         null,
         "HMDB02088",
         "MNXM107386",
         "14634025 | 16527816 | 17015445 | 17626977 | 17655883 | 18227059 | 21562563 | 25596343 | 27637550"
        ],
        [
         "18",
         "SLM:000000149",
         "Isomeric subspecies",
         "N-hexadecanoyl-ethanolamine",
         "NAE (16:0)",
         "hexadecanoyl-ethanolamide | N-hexadecanoyl ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCCCCCCCCCCCC(=O)NCCO",
         "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",
         "InChIKey=HXYVTAGFYLMHSO-UHFFFAOYSA-N",
         "C18H37NO2",
         "0.0",
         "299.4919",
         "299.282429",
         "299.281881",
         "300.289706",
         "338.245588",
         "322.271651",
         "306.297885",
         "317.316255",
         "298.275153",
         "334.251831",
         "358.296282",
         "71464",
         null,
         "HMDB02100",
         "MNXM107548",
         "12824167 | 14634025 | 15655246 | 15760304 | 16527816 | 17015445 | 17655883 | 18227059 | 21562563 | 21801852 | 22825852 | 25423491 | 25596343 | 27637550"
        ],
        [
         "19",
         "SLM:000000178",
         "Isomeric subspecies",
         "N-(docosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/22:0)",
         "Ceramide (iso-d17:1(4E)/22:0) | N-docosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392021",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1",
         "InChIKey=XMCZTIGIXKXPGG-KNEGYRQWSA-N",
         "C39H77NO3",
         "0.0",
         "608.0336",
         "607.590345",
         "607.589797",
         "608.597622",
         "646.553504",
         "630.579566",
         "614.605801",
         "625.624171",
         "606.583069",
         "642.559747",
         "666.604198",
         "71377",
         null,
         null,
         "MNXM107026",
         "19372430"
        ],
        [
         "20",
         "SLM:000000179",
         "Isomeric subspecies",
         "N-(heneicosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/21:0)",
         "Ceramide (iso-d17:1(4E)/21:0) | N-henicosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392020",
         "SLM:000001207 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C38H75NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-38(42)39-36(34-40)37(41)32-29-26-23-20-18-19-22-25-28-31-35(2)3/h29,32,35-37,40-41H,4-28,30-31,33-34H2,1-3H3,(H,39,42)/b32-29+/t36-,37+/m0/s1",
         "InChIKey=XTOGDASSFFGCNZ-DXPOGGQJSA-N",
         "C38H75NO3",
         "0.0",
         "594.007",
         "593.574695",
         "593.574147",
         "594.581972",
         "632.537854",
         "616.563916",
         "600.590151",
         "611.608521",
         "592.567419",
         "628.544097",
         "652.588548",
         "71375",
         null,
         null,
         "MNXM107036",
         "19372430"
        ],
        [
         "23",
         "SLM:000000182",
         "Isomeric subspecies",
         "N-(tetracosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/24:0)",
         "Ceramide (iso-d17:1(4E)/24:0) | N-tetracosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392028",
         "SLM:000000414 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C41H81NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-21-22-25-28-31-34-38(2)3/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t39-,40+/m0/s1",
         "InChIKey=TVDHQFWAJSGJQN-KBONVYKJSA-N",
         "C41H81NO3",
         "0.0",
         "636.0867",
         "635.621646",
         "635.621097",
         "636.628922",
         "674.584804",
         "658.610867",
         "642.637101",
         "653.655471",
         "634.614369",
         "670.591047",
         "694.635498",
         "71381",
         null,
         null,
         "MNXM107141",
         "19372430"
        ],
        [
         "24",
         "SLM:000000183",
         "Isomeric subspecies",
         "N-(hexacosanoyl)-15-methylhexadecasphing-4-enine",
         "Cer(iso-d17:1(4E)/26:0)",
         "Ceramide (iso-d17:1(4E)/26:0) | N-hexacosanoyl-15-methylhexadecasphing-4-enine",
         "SLM:000000002",
         "SLM:000392033",
         "SLM:000000539 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C43H85NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-43(47)44-41(39-45)42(46)37-34-31-28-25-23-24-27-30-33-36-40(2)3/h34,37,40-42,45-46H,4-33,35-36,38-39H2,1-3H3,(H,44,47)/b37-34+/t41-,42+/m0/s1",
         "InChIKey=NPJDYKPLWLEWOS-KTSAFCHVSA-N",
         "C43H85NO3",
         "0.0",
         "664.1399",
         "663.652946",
         "663.652397",
         "664.660222",
         "702.616104",
         "686.642167",
         "670.668401",
         "681.686771",
         "662.645669",
         "698.622347",
         "722.666799",
         "71385",
         null,
         null,
         "MNXM107064",
         "19372430"
        ],
        [
         "26",
         "SLM:000000185",
         "Isomeric subspecies",
         "N-(hexacosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SM(iso-d17:1(4E)/26:0)",
         "N-hexacosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine | Sphingomyelin (iso-d17:1(4E)/26:0)",
         "SLM:000000007",
         "SLM:000394465",
         "SLM:000000539 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C48H97N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-28-26-27-30-33-36-39-45(2)3/h37,40,45-47,51H,7-36,38-39,41-44H2,1-6H3,(H-,49,52,53,54)/b40-37+/t46-,47+/m0/s1",
         "InChIKey=JWWVBMRNPGAKSM-LWQSKWNHSA-N",
         "C48H97N2O6P",
         "0.0",
         "829.2673",
         "828.708425",
         "828.707877",
         "829.715702",
         "867.671584",
         "851.697646",
         "835.723881",
         "846.742251",
         null,
         "863.677827",
         "887.722278",
         "70938",
         null,
         null,
         "MNXM107065",
         "19372430"
        ],
        [
         "36",
         "SLM:000000196",
         "Isomeric subspecies",
         "N-(heneicosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SM(iso-d17:1(4E)/21:0)",
         "N-henicosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine | Sphingomyelin (iso-d17:1(4E)/21:0)",
         "SLM:000000007",
         "SLM:000394452",
         "SLM:000001207 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C43H87N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-33-36-43(47)44-41(39-51-52(48,49)50-38-37-45(4,5)6)42(46)35-32-29-26-23-21-22-25-28-31-34-40(2)3/h32,35,40-42,46H,7-31,33-34,36-39H2,1-6H3,(H-,44,47,48,49)/b35-32+/t41-,42+/m0/s1",
         "InChIKey=HMQRZNBWVNRNRL-UXROQNIDSA-N",
         "C43H87N2O6P",
         "0.0",
         "759.1344",
         "758.630175",
         "758.629626",
         "759.637451",
         "797.593333",
         "781.619396",
         "765.645631",
         "776.664001",
         null,
         "793.599576",
         "817.644028",
         "70903",
         null,
         null,
         "MNXM107041",
         "19372430"
        ],
        [
         "37",
         "SLM:000000197",
         "Isomeric subspecies",
         "N-(docosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SM(iso-d17:1(4E)/22:0)",
         "N-docosanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine | Sphingomyelin (iso-d17:1(4E)/22:0)",
         "SLM:000000007",
         "SLM:000394453",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\\C=C\\CCCCCCCCCC(C)C",
         "InChI=1S/C44H89N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-44(48)45-42(40-52-53(49,50)51-39-38-46(4,5)6)43(47)36-33-30-27-24-22-23-26-29-32-35-41(2)3/h33,36,41-43,47H,7-32,34-35,37-40H2,1-6H3,(H-,45,48,49,50)/b36-33+/t42-,43+/m0/s1",
         "InChIKey=RPNHAFAVDGKYBE-IRZMMJPMSA-N",
         "C44H89N2O6P",
         "0.0",
         "773.161",
         "772.645825",
         "772.645277",
         "773.653102",
         "811.608983",
         "795.635046",
         "779.661281",
         "790.679651",
         null,
         "807.615226",
         "831.659678",
         "70910",
         null,
         null,
         "MNXM107027",
         "19372430"
        ],
        [
         "57",
         "SLM:000000263",
         "Class",
         "Ceramide (iso-t17:0)",
         "Cer(iso-t17:0)",
         "N-acyl-15-methylhexadecaphytosphingosine | N-acyl-4-hydroxy-15-methylhexadecasphinganine",
         "SLM:000399814",
         null,
         null,
         "CC(C)CCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC([*])=O",
         "InChI=none",
         null,
         "C18H36NO4R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "71234",
         null,
         null,
         "MNXM97114",
         null
        ],
        [
         "75",
         "SLM:000000294",
         "Isomeric subspecies",
         "N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine",
         "NAE (20:4(5Z,8Z,11Z,14Z))",
         "(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamide | anandamide",
         "SLM:000000378",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(=O)NCCO",
         "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-",
         "InChIKey=LGEQQWMQCRIYKG-DOFZRALJSA-N",
         "C22H37NO2",
         "0.0",
         "347.5347",
         "347.282429",
         "347.281881",
         "348.289706",
         "386.245588",
         "370.271651",
         "354.297885",
         "365.316255",
         "346.275153",
         "382.251831",
         "406.296282",
         "2700",
         null,
         "HMDB04080",
         null,
         "14634025 | 16527816 | 16938887 | 17015445 | 17626977 | 17649977 | 17655883 | 18227059 | 18549450 | 18698000 | 20702771 | 21289075 | 21562563 | 25423491 | 25596343 | 27571266 | 27637550 | 32271712"
        ],
        [
         "76",
         "SLM:000000296",
         "Isomeric subspecies",
         "(5Z,8Z,11Z,14Z)-eicosatetraenoate",
         null,
         "20:4(5Z,8Z,11Z,14Z) | Arachidonate",
         "SLM:000389801",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-15-",
         "InChIKey=YZXBAPSDXZZRGB-DOFZRALJSA-M",
         "C20H31O2",
         "-1.0",
         "303.4595",
         "304.24023",
         "304.239682",
         "305.247507",
         "343.203389",
         "327.229451",
         "311.255686",
         "322.274056",
         "303.232954",
         "339.209632",
         "363.254083",
         "32395",
         "LMFA01030001",
         "HMDB01043",
         "MNXM135",
         "10085124 | 10320809 | 10358058 | 10542053 | 10559269 | 10620324 | 10660572 | 10681567 | 10744668 | 10791960 | 10854433 | 10908295 | 10965849 | 11034610 | 11162607 | 11180564 | 11192938 | 11256953 | 11673457 | 11927584 | 12244105 | 12522102 | 12672805 | 12704195 | 14634044 | 14636062 | 14660610 | 14709560 | 15007068 | 15041462 | 15084647 | 15364545 | 15558016 | 15695510 | 15699031 | 15908428 | 16112079 | 16143298 | 16617059 | 16762313 | 16820285 | 16940157 | 17015445 | 17112342 | 17158102 | 17293613 | 17341693 | 17472963 | 17493578 | 17649977 | 18171998 | 18258213 | 18451993 | 18577768 | 18614531 | 19029917 | 19047760 | 19169353 | 1944593 | 19453107 | 19615464 | 19965576 | 20068046 | 20079333 | 20972997 | 21049984 | 21242590 | 21454566 | 21562563 | 21880860 | 22586271 | 22923616 | 22942274 | 22969151 | 22984144 | 23533611 | 23936004 | 24282679 | 24368842 | 24563460 | 24628888 | 24893149 | 24958911 | 25290914 | 25580854 | 26989199 | 27374330 | 28209804 | 30237167 | 31664810 | 32271712 | 7574697 | 7592599 | 7794891 | 7883976 | 7947975 | 8188678 | 8300559 | 8334154 | 8615788 | 8631361 | 8631948 | 9048568 | 9143331 | 9177185 | 9302294 | 9305900 | 9425121 | 9435160 | 9618483 | 9721182 | 9837935 | 9866708"
        ],
        [
         "99",
         "SLM:000000323",
         "Class",
         "Ceramide (t18:0)",
         "Cer(t18:0)",
         "N-acyl-4-hydroxysphinganine | N-acyl-phytosphingosine",
         "SLM:000399814",
         null,
         null,
         "CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC([*])=O",
         null,
         null,
         "C19H38NO4R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "31998",
         null,
         null,
         "MNXM731",
         "11006294 | 11356846 | 11694577 | 11937514 | 15063729 | 20139604 | 20727985 | 9368039 | 9556590"
        ],
        [
         "100",
         "SLM:000000324",
         "Class",
         "1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol",
         "PI",
         "Phosphatidyl-1D-myo-inositol | Phosphatidylinositol",
         "SLM:000055216",
         null,
         null,
         "O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@H](O)[C@@H]1O",
         "InChI=none",
         null,
         "C11H16O13PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57880",
         null,
         null,
         "MNXM62",
         "10079112 | 10101268 | 10497163 | 10531358 | 10625610 | 10805725 | 10848624 | 10888667 | 10931938 | 11277933 | 12890864 | 15140260 | 15588231 | 16123124 | 16162815 | 1644792 | 19075029  | 20332109 | 20727985 | 22322963 | 22822086 | 7531435 | 7628435 | 7654206 | 7890667 | 7961848 | 8407970 | 8454637 | 9235916 | 9337861 | 9368028 | 9407135 | 9463366 | 9830063"
        ],
        [
         "132",
         "SLM:000000377",
         null,
         "1,2-diacyl-sn-glycero-3-phospho-N-acylethanolamine",
         null,
         "1,2-diacyl-sn-glycero-3-phospho-N-acyl-ethanolamine | N-acyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine",
         "SLM:000001189",
         null,
         null,
         "[O-]P(=O)(OCCNC([*])=O)OC[C@@H](COC([*])=O)OC([*])=O",
         null,
         null,
         "C8H10NO9PR3",
         "-1.0",
         "295.1401",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "62537",
         null,
         null,
         null,
         "14634025 | 15760304 | 15878693 | 16527816 | 16818490 | 19000777 | 25684574 | 27571266"
        ],
        [
         "141",
         "SLM:000000390",
         "Class",
         "Ceramide phosphoinositol (d18:0)",
         "IPC(d18:0)",
         "Inositol-1-phospho-N-(acyl)-sphinganine | Inositol-1-phosphoceramide (d18:0)",
         "SLM:000000392",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C25H48NO11PR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64941",
         null,
         null,
         null,
         null
        ],
        [
         "150",
         "SLM:000000406",
         "Isomeric subspecies",
         "N-(9Z,12Z-octadecadienoyl)-ethanolamine",
         "NAE (18:2(9Z,12Z))",
         "(9Z,12Z-octadecadienoyl)-ethanolamide | linoleoyl ethanolamide",
         "SLM:000000378",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/CCCCCCCC(=O)NCCO",
         "InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",
         "InChIKey=KQXDGUVSAAQARU-HZJYTTRNSA-N",
         "C20H37NO2",
         "0.0",
         "323.5133",
         "323.282429",
         "323.281881",
         "324.289706",
         "362.245588",
         "346.271651",
         "330.297885",
         "341.316255",
         "322.275153",
         "358.251831",
         "382.296282",
         "64032",
         null,
         "HMDB12252",
         null,
         "12824167 | 21562563"
        ],
        [
         "151",
         "SLM:000000407",
         "Isomeric subspecies",
         "(9Z,12Z)-octadecadienoate",
         null,
         "18:2(9Z,12Z) | Linoleate",
         "SLM:000389801",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/CCCCCCCC([O-])=O",
         "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-",
         "InChIKey=OYHQOLUKZRVURQ-HZJYTTRNSA-M",
         "C18H31O2",
         "-1.0",
         "279.4381",
         "280.24023",
         "280.239682",
         "281.247507",
         "319.203389",
         "303.229451",
         "287.255686",
         "298.274056",
         "279.232954",
         "315.209632",
         "339.254083",
         "30245",
         "LMFA01030120",
         "HMDB00673",
         "MNXM293",
         "10455175 | 10542053 | 10681567 | 10744668 | 10854433 | 11034610 | 11192938 | 11256953 | 11673457 | 12366803 | 12522102 | 12556534 | 12824167 | 14636062 | 14709560 | 14998370 | 15007068 | 15695510 | 16617059 | 16762313 | 16940157 | 17293613 | 18267944 | 18614531 | 18949503 | 19047760 | 19427851 | 19615464 | 21395585 | 21562563 | 21926997 | 22586271 | 22923616 | 22969151 | 23066022 | 23233731 | 23936004 | 24368842 | 24628888 | 25027319 | 25290914 | 25580854 | 26264916 | 29666162 | 8188678 | 8206942 | 8334154 | 8509424 | 9305900 | 9435160 | 9442064 | 9582346 | 9866708"
        ],
        [
         "152",
         "SLM:000000408",
         "Isomeric subspecies",
         "N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-ethanolamine",
         "NAE (22:5(5Z,8Z,11Z,14Z,17Z))",
         "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl ethanolamine | (5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-ethanolamide",
         "SLM:000000378",
         null,
         null,
         "CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(=O)NCCO",
         "InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h3-4,6-7,9-10,12-13,15-16,24H,2,5,8,11,14,17-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-,13-12-,16-15-",
         "InChIKey=OVKKNJPJQKTXIT-JLNKQSITSA-N",
         "C22H35NO2",
         "0.0",
         "345.5188",
         "345.266779",
         "345.266231",
         "346.274056",
         "384.229938",
         "368.256",
         "352.282235",
         "363.300605",
         "344.259503",
         "380.236181",
         "404.280632",
         "71467",
         "LMFA08040008",
         "HMDB13649",
         "MNXM51881",
         "21562563"
        ],
        [
         "153",
         "SLM:000000409",
         "Isomeric subspecies",
         "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate",
         null,
         "20:5(5Z,8Z,11Z,14Z,17Z) | Timnodate",
         "SLM:000389801",
         null,
         null,
         "CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-",
         "InChIKey=JAZBEHYOTPTENJ-JLNKQSITSA-M",
         "C20H29O2",
         "-1.0",
         "301.4436",
         "302.22458",
         "302.224032",
         "303.231857",
         "341.187739",
         "325.213801",
         "309.240036",
         "320.258406",
         "301.217304",
         "337.193982",
         "361.238433",
         "58562",
         "LMFA01030759",
         "HMDB01999",
         "MNXM2801",
         "10559269 | 10854433 | 11034610 | 11192938 | 15041462 | 15766564 | 16820285 | 17112342 | 18577768 | 19540099 | 19965576 | 21206090 | 21562563 | 22772592 | 22984144 | 24628888 | 26771963 | 9837935"
        ],
        [
         "154",
         "SLM:000000410",
         "Isomeric subspecies",
         "N-(9Z-hexadecenoyl)-ethanolamine",
         "NAE (16:1(9Z))",
         "(9Z-hexadecenoyl)-ethanolamide | N-(9Z-hexadecenoyl) ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCC\\C=C/CCCCCCCC(=O)NCCO",
         "InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-",
         "InChIKey=WFRLANWAASSSFV-FPLPWBNLSA-N",
         "C18H35NO2",
         "0.0",
         "297.476",
         "297.266779",
         "297.266231",
         "298.274056",
         "336.229938",
         "320.256",
         "304.282235",
         "315.300605",
         "296.259503",
         "332.236181",
         "356.280632",
         "71465",
         null,
         "HMDB13648",
         "MNXM67518",
         "21562563"
        ],
        [
         "155",
         "SLM:000000411",
         "Isomeric subspecies",
         "(9Z)-hexadecenoate",
         null,
         "16:1(9Z) | 9Z-palmitoleate",
         "SLM:000389821",
         null,
         null,
         "CCCCCC\\C=C/CCCCCCCC([O-])=O",
         "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/p-1/b8-7-",
         "InChIKey=SECPZKHBENQXJG-FPLPWBNLSA-M",
         "C16H29O2",
         "-1.0",
         "253.4008",
         "254.22458",
         "254.224032",
         "255.231857",
         "293.187739",
         "277.213801",
         "261.240036",
         "272.258406",
         "253.217304",
         "289.193982",
         "313.238433",
         "32372",
         "LMFA01030056",
         "HMDB03229",
         "MNXM162245",
         "10493790 | 10850979 | 10854433 | 11477098 | 11673457 | 15007068 | 15619630 | 16940157 | 21562563 | 22586271 | 23066022 | 27018888 | 27036938 | 27509211 | 8206942"
        ],
        [
         "157",
         "SLM:000000413",
         "Class",
         "Ceramide (d18:1(4E))",
         "Cer(d18:1(4E))",
         "N-acyl-sphingosine | N-acylsphing-4-enine | N-acylsphingosine",
         "SLM:000399814",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO)NC([*])=O",
         "InChI=none",
         null,
         "C19H36NO3R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "52639",
         null,
         null,
         "MNXM96425",
         "10393098 | 10593963 | 10753931 | 10823942 | 11937514 | 12633877 | 12692077 | 12783875 | 12885774 | 14685263 | 14976195 | 15051724 | 15252046 | 15916907 | 17080196 | 17449912 | 17982138 | 18095347 | 18184806 | 1840600 | 20139604 | 20207939 | 22385963 | 24211208 | 25180167 | 26724485 | 8399327 | 8643456 | 8663293 | 8713090 | 8757862 | 9305923"
        ],
        [
         "160",
         "SLM:000000418",
         "Isomeric subspecies",
         "(9Z)-octadecenoate",
         null,
         "18:1(9Z) | Oleate",
         "SLM:000389821",
         null,
         null,
         "CCCCCCCC\\C=C/CCCCCCCC([O-])=O",
         "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-",
         "InChIKey=ZQPPMHVWECSIRJ-KTKRTIGZSA-M",
         "C18H33O2",
         "-1.0",
         "281.454",
         "282.25588",
         "282.255332",
         "283.263157",
         "321.219039",
         "305.245101",
         "289.271336",
         "300.289706",
         "281.248604",
         "317.225282",
         "341.269733",
         "30823",
         "LMFA01030002",
         "HMDB00207",
         "MNXM306",
         "10220579 | 10455175 | 10484737 | 10518211 | 10553002 | 10620324 | 10681567 | 10744668 | 10769148 | 10850979 | 10854433 | 11015575 | 11112443 | 11278489 | 11401559 | 11477098 | 11673457 | 11927584 | 12032167 | 12366803 | 12556534 | 1420353 | 14610053 | 14709560 | 14998370 | 15007068 | 15213221 | 1531641 | 15550674 | 15699031 | 15716583 | 15908428 | 15955102 | 15984864 | 16267052 | 16354661 | 16473965 | 16762313 | 16818490 | 16837646 | 16940157 | 16963437 | 17015445 | 17158102 | 1718995 | 17213206 | 17401110 | 17603008 | 17626977 | 17784850 | 18267944 | 1846745 | 18576672 | 1865764 | 18702514 | 18782767 | 19047760 | 19169353 | 19453107 | 19493158 | 19615464 | 19800417 | 19959834 | 20016004 | 20068046 | 20079333 | 20089856 | 20139604 | 20332534 | 20554061 | 20625037 | 20668164 | 21242590 | 21382969 | 21393252 | 21395585 | 21454566 | 21865348 | 21878620 | 22370951 | 2243091 | 22586271 | 22922100 | 22923616 | 22969151 | 23066022 | 23297193 | 23533611 | 23770034 | 23936004 | 24368842 | 24628888 | 25290914 | 25490545 | 25555908 | 25580854 | 25833688 | 25853435 | 26491015 | 26494624 | 26991558 | 27018888 | 27036938 | 27374330 | 27509211 | 28420705 | 28887301 | 29178188 | 29533650 | 29666162 | 29967167 | 30237167 | 30643283 | 32271712 | 32402239 | 6643478 | 7592706 | 7744740 | 7883976 | 7906114 | 7922029 | 8119970 | 8206942 | 8300559 | 8509424 | 8999922 | 9162045 | 9425121 | 9442064 | 9442065 | 9633819 | 9790682"
        ],
        [
         "233",
         "SLM:000000508",
         "Isomeric subspecies",
         "(9Z-octadecenoyl)-cholesterol",
         "CE(18:1(9Z))",
         "Cholesteryl (9Z-octadecenoate) | Cholesteryl ester (18:1(9Z))",
         "SLM:000000470",
         "SLM:000500351",
         "SLM:000000418 (acyl)",
         "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCC\\C=C/CCCCCCCC)[C@H](C)CCCC(C)C",
         "InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",
         "InChIKey=RJECHNNFRHZQKU-QVENLFBFSA-N",
         "C45H78O2",
         "0.0",
         "651.117",
         "650.600182",
         "650.599633",
         "651.607458",
         "689.56334",
         "673.589403",
         "657.615637",
         "668.634007",
         "649.592905",
         "685.569583",
         "709.614035",
         "46898",
         "LMST01020003",
         "HMDB00918",
         "MNXM46582",
         "11015575 | 11294643 | 14636062 | 15550674 | 15716583 | 1718995 | 17237796 | 18782767 | 20332534 | 20625037 | 24293641 | 27509211 | 32433614 | 9020103 | 9162045 | 9633819 | 9756920 | 9857049"
        ],
        [
         "248",
         "SLM:000000533",
         "Isomeric subspecies",
         "N-(docosanoyl)-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine",
         "(3'-sulfo)GalCer(d18:1(4E)/22:0)",
         "1-(3-O-sulfo-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl)-N-docosanoylsphingosine | Sulfogalactosyl ceramide (d18:1(4E)/22:0)",
         "SLM:000001005",
         "SLM:000395157",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/p-1/b35-33+/t39-,40+,41+,43-,44+,45-,46+/m0/s1",
         "InChIKey=UAKYQMHTPLVMJD-VKNIJNTKSA-M",
         "C46H88NO11S",
         "-1.0",
         "863.256",
         "863.615633",
         "863.615085",
         "864.62291",
         "902.578792",
         "886.604854",
         "870.631089",
         "881.649459",
         "862.608357",
         "898.585035",
         "922.629486",
         "75973",
         "LMSP06020009",
         "HMDB12316",
         "MNXM149964",
         null
        ],
        [
         "249",
         "SLM:000000534",
         "Isomeric subspecies",
         "N-(tetracosanoyl)-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine",
         "(3'-sulfo)GalCer(d18:1(4E)/24:0)",
         "1-(3-O-sulfo-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl)-N-tetracosanoylsphingosine | Sulfogalactosyl ceramide (d18:1(4E)/24:0)",
         "SLM:000001005",
         "SLM:000395164",
         "SLM:000000414 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/p-1/b37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1",
         "InChIKey=MEAZTWJVOWHKJM-CIAPRIGGSA-M",
         "C48H92NO11S",
         "-1.0",
         "891.309",
         "891.646934",
         "891.646385",
         "892.65421",
         "930.610092",
         "914.636155",
         "898.662389",
         "909.680759",
         "890.639657",
         "926.616335",
         "950.660786",
         "75974",
         "LMSP06020013",
         "HMDB00024",
         "MNXM32456",
         null
        ],
        [
         "250",
         "SLM:000000536",
         "Isomeric subspecies",
         "N-(tetracosanoyl)-1-O-beta-D-galactosyl-sphing-4-enine",
         "GalCer(d18:1(4E)/24:0)",
         "beta-D-galactosyl-N-(tetracosanoyl)sphingosine | Galactosyl ceramide (d18:1(4E)/24:0)",
         "SLM:000000926",
         "SLM:000393884",
         "SLM:000000414 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1",
         "InChIKey=POQRWMRXUOPCLD-HIIAJUEOSA-N",
         "C48H93NO8",
         "0.0",
         "812.2539",
         "811.690119",
         "811.68957",
         "812.697395",
         "850.653277",
         "834.67934",
         "818.705574",
         "829.723945",
         "810.682843",
         "846.65952",
         "870.703972",
         "75186",
         "LMSP0501AC05",
         null,
         "MNXM54215",
         null
        ],
        [
         "263",
         "SLM:000000550",
         "Isomeric subspecies",
         "(6Z)-hexadecenoate",
         null,
         "16:1(6Z) | Sapienate",
         "SLM:000389821",
         null,
         null,
         "CCCCCCCCC\\C=C/CCCCC([O-])=O",
         "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/p-1/b11-10-",
         "InChIKey=NNNVXFKZMRGJPM-KHPPLWFESA-M",
         "C16H29O2",
         "-1.0",
         "253.4008",
         "254.22458",
         "254.224032",
         "255.231857",
         "293.187739",
         "277.213801",
         "261.240036",
         "272.258406",
         "253.217304",
         "289.193982",
         "313.238433",
         "76197",
         "LMFA01030267",
         null,
         "MNXM15061",
         "12713571"
        ],
        [
         "266",
         "SLM:000000554",
         "Isomeric subspecies",
         "N-(hexadecanoyl)-sphing-4-enine",
         "Cer(d18:1(4E)/16:0)",
         "Ceramide (d18:1(4E)/16:0) | N-hexadecanoylsphingosine",
         "SLM:000000413",
         "SLM:000392131",
         "SLM:000000510 (n-acyl)",
         "CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1",
         "InChIKey=YDNKGFDKKRUKPY-TURZORIXSA-N",
         "C34H67NO3",
         "0.0",
         "537.9007",
         "537.512095",
         "537.511546",
         "538.519371",
         "576.475253",
         "560.501316",
         "544.52755",
         "555.545921",
         "536.504819",
         "572.481496",
         "596.525948",
         "72959",
         "LMSP02010004",
         "HMDB04949",
         "MNXM82547",
         "10652340 | 10702247 | 10781606 | 11278489 | 12764132 | 12912983 | 14685229 | 15655246 | 16269826 | 16689792 | 17475390 | 18184806 | 20089856 | 20139604 | 20378533 | 21550973 | 23275342 | 31916624"
        ],
        [
         "267",
         "SLM:000000555",
         "Isomeric subspecies",
         "N-(octadecanoyl)-sphing-4-enine",
         "Cer(d18:1(4E)/18:0)",
         "Ceramide (d18:1(4E)/18:0) | N-octadecanoylsphingosine",
         "SLM:000000413",
         "SLM:000392135",
         "SLM:000000826 (n-acyl)",
         "CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1",
         "InChIKey=VODZWWMEJITOND-NXCSZAMKSA-N",
         "C36H71NO3",
         "0.0",
         "565.9538",
         "565.543395",
         "565.542847",
         "566.550672",
         "604.506553",
         "588.532616",
         "572.558851",
         "583.577221",
         "564.536119",
         "600.512796",
         "624.557248",
         "72961",
         "LMSP02010006",
         "HMDB04950",
         "MNXM46113",
         "10652340 | 12764132 | 12912983 | 18184806 | 20089856 | 20139604 | 23275342 | 25339683 | 31916624 | 7744740"
        ],
        [
         "273",
         "SLM:000000561",
         "Isomeric subspecies",
         "N-(docosanoyl)-15-methylhexadecasphinganine",
         "Cer(iso-d17:0/22:0)",
         "Ceramide (iso-d17:0/22:0) | N-docosanoyl-15-methylhexadecasphinganine",
         "SLM:000000251",
         "SLM:000391957",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C",
         "InChI=1S/C39H79NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h36-38,41-42H,4-35H2,1-3H3,(H,40,43)/t37-,38+/m0/s1",
         "InChIKey=HCXNRGLMSHTQGH-QPPIDDCLSA-N",
         "C39H79NO3",
         "0.0",
         "610.0495",
         "609.605995",
         "609.605447",
         "610.613272",
         "648.569154",
         "632.595216",
         "616.621451",
         "627.639821",
         "608.598719",
         "644.575397",
         "668.619848",
         "74178",
         null,
         null,
         "MNXM158520",
         null
        ],
        [
         "278",
         "SLM:000000569",
         "Isomeric subspecies",
         "1-O-hexadecyl-sn-glycero-3-phosphocholine",
         "PC(O-16:0/0:0)",
         "1-hexadecyl-sn-glycero-3-phosphocholine | Phosphatidylcholine (O-16:0/0:0)",
         "SLM:000000448",
         "SLM:000092101",
         "SLM:000000202 (sn1)",
         "CCCCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C",
         "InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1",
         "InChIKey=VLBPIWYTPAXCFJ-XMMPIXPASA-N",
         "C24H52NO6P",
         "0.0",
         "481.646515",
         "481.35321",
         "481.352661",
         "482.360504",
         "520.316406",
         "504.342438",
         "488.368683",
         "499.387054",
         null,
         "516.322632",
         "540.367065",
         "64496",
         "LMGP01060010",
         null,
         "MNXM60417",
         "10085103 | 10358058 | 10542206 | 10608884  | 12176993 | 16704971 | 17182612 | 17293613 | 18285344 | 18458083 | 21926997 | 25528375 | 7673213 | 7794891 | 9442064"
        ],
        [
         "304",
         "SLM:000000601",
         "Isomeric subspecies",
         "N-(2-hydroxytetracosanoyl)-sphinganine",
         "Cer(d18:0/24:0(2OH)) | Cer(d18:0/24:0-2OH)",
         "Ceramide (d18:0/24:0(2OH)) | N-(2-hydroxytetracosanoyl)-sphinganine | N-2-hydroxytetracosanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000830 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC",
         "InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41?/m0/s1",
         "InChIKey=DGORBCXEWSENPF-MOKHYRRWSA-N",
         "C42H85NO4",
         "0.0",
         "668.145",
         "667.64786",
         "667.647312",
         "668.655137",
         "706.611019",
         "690.637081",
         "674.663316",
         "685.681686",
         "666.640584",
         "702.617262",
         "726.661713",
         "52371",
         "LMSP02020033",
         null,
         null,
         "18541923"
        ],
        [
         "306",
         "SLM:000000603",
         "Isomeric subspecies",
         "N-(2-hydroxydocosanoyl)-sphinganine",
         "Cer(d18:0/22:0(2OH)) | Cer(d18:0/22:0-2OH)",
         "Ceramide (d18:0/22:0(2OH)) | N-(2-hydroxydocosanoyl)-sphinganine | N-2-hydroxydocosanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000828 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC",
         "InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h37-39,42-44H,3-36H2,1-2H3,(H,41,45)/t37-,38+,39?/m0/s1",
         "InChIKey=NNLQQNODNROHPW-BFNXHEPRSA-N",
         "C40H81NO4",
         "0.0",
         "640.091",
         "639.61656",
         "639.616012",
         "640.623837",
         "678.579718",
         "662.605781",
         "646.632016",
         "657.650386",
         "638.609284",
         "674.585961",
         "698.630413",
         "67023",
         "LMSP02020032",
         null,
         "MNXM106875",
         "18541923"
        ],
        [
         "308",
         "SLM:000000605",
         "Isomeric subspecies",
         "N-(2-hydroxyoctadecanoyl)-sphinganine",
         "Cer(d18:0/18:0(2OH)) | Cer(d18:0/18:0-2OH)",
         "Ceramide (d18:0/18:0(2OH)) | N-(2-hydroxyoctadecanoyl)-sphinganine | N-2-hydroxyoctadecanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000831 (n-acyl)",
         "CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC",
         "InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-40H,3-32H2,1-2H3,(H,37,41)/t33-,34+,35?/m0/s1",
         "InChIKey=TWVUZTCVZAHCIE-GWDKEWMYSA-N",
         "C36H73NO4",
         "0.0",
         "583.983",
         "583.55396",
         "583.553411",
         "584.561236",
         "622.517118",
         "606.543181",
         "590.569415",
         "601.587785",
         "582.546683",
         "618.523361",
         "642.567813",
         "67034",
         "LMSP02020030",
         null,
         null,
         "18541923"
        ],
        [
         "310",
         "SLM:000000607",
         "Isomeric subspecies",
         "N-(2-hydroxyhexadecanoyl)-sphinganine",
         "Cer(d18:0/16:0(2OH)) | Cer(d18:0/16:0-2OH)",
         "Ceramide (d18:0/16:0(2OH)) | N-(2-hydroxyhexadecanoyl)-sphinganine | N-2-hydroxyhexadecanoyl-sphinganine",
         "SLM:000000285",
         null,
         "SLM:000000389 (n-acyl)",
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)C(O)CCCCCCCCCCCCCC",
         "InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35,39)/t31-,32+,33?/m0/s1",
         "InChIKey=NQXMVCBJWMTLGK-XIWRNSNHSA-N",
         "C34H69NO4",
         "0.0",
         "555.929",
         "555.52266",
         "555.522111",
         "556.529936",
         "594.485818",
         "578.511881",
         "562.538115",
         "573.556485",
         "554.515383",
         "590.492061",
         "614.536513",
         "67043",
         "LMSP02020029",
         null,
         null,
         "18541923"
        ],
        [
         "330",
         "SLM:000000634",
         "Isomeric subspecies",
         "N-(tetracosanoyl)-sphing-4-enine",
         "Cer(d18:1(4E)/24:0)",
         "Ceramide (d18:1(4E)/24:0) | N-tetracosanoylsphingosine",
         "SLM:000000413",
         "SLM:000392156",
         "SLM:000000414 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1",
         "InChIKey=ZJVVOYPTFQEGPH-AUTSUKAISA-N",
         "C42H83NO3",
         "0.0",
         "650.1133",
         "649.637296",
         "649.636747",
         "650.644572",
         "688.600454",
         "672.626517",
         "656.652751",
         "667.671121",
         "648.630019",
         "684.606697",
         "708.651148",
         "72965",
         "LMSP02010012",
         "HMDB04956",
         "MNXM46116",
         "15051724 | 17713573 | 20089856 | 20139604 | 20937905"
        ],
        [
         "382",
         "SLM:000000693",
         "Isomeric subspecies",
         "1-O-octadecyl-sn-glycero-3-phosphocholine",
         "PC(O-18:0/0:0)",
         "1-octadecyl-sn-glycero-3-phosphocholine | Phosphatidylcholine (O-18:0/0:0)",
         "SLM:000000448",
         "SLM:000092231",
         "SLM:000000583 (sn1)",
         "CCCCCCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C",
         "InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/t26-/m1/s1",
         "InChIKey=XKBJVQHMEXMFDZ-AREMUKBSSA-N",
         "C26H56NO6P",
         "0.0",
         "509.699707",
         "509.384521",
         "509.383972",
         "510.391815",
         "548.347656",
         "532.373718",
         "516.399963",
         "527.418335",
         null,
         "544.353943",
         "568.398376",
         "75216",
         "LMGP01060014",
         "HMDB11149",
         "MNXM60770",
         "10504265 | 10608884 | 14741383 | 16704971 | 17182612"
        ],
        [
         "386",
         "SLM:000000698",
         "Isomeric subspecies",
         "1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine",
         "PC(O-16:0/2:0)",
         "1-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine | Phosphatidylcholine (O-16:0/2:0)",
         "SLM:000000574",
         "SLM:000092146",
         "SLM:000000202 (sn1) / SLM:000000449 (sn2)",
         "[H]CC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C",
         "InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1",
         "InChIKey=HVAUUPRFYPCOCA-AREMUKBSSA-N",
         "C26H54NO7P",
         "0.0",
         "523.683228",
         "523.36377",
         "523.36322",
         "524.371094",
         "562.326965",
         "546.353027",
         "530.379272",
         "541.397644",
         null,
         "558.333191",
         "582.377625",
         "44811",
         "LMGP01020046",
         null,
         "MNXM7624",
         "10085103 | 10542206 | 10893425 | 11560941 | 17182612 | 18285344 | 21926997 | 26757638"
        ],
        [
         "388",
         "SLM:000000700",
         "Isomeric subspecies",
         "1-O-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine",
         "PC(O-16:0/16:0)",
         "1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine | Phosphatidylcholine (O-16:0/16:0)",
         "SLM:000000574",
         "SLM:000092108",
         "SLM:000000202 (sn1) / SLM:000000510 (sn2)",
         "CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC",
         "InChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1",
         "InChIKey=WOTHHEHCEYHCFE-LDLOPFEMSA-N",
         "C40H82NO7P",
         "0.0",
         "720.055298",
         "719.582886",
         "719.582336",
         "720.590149",
         "758.546021",
         "742.572083",
         "726.598328",
         "737.616699",
         null,
         "754.552307",
         "778.596741",
         "72744",
         "LMGP01020029",
         null,
         "MNXM70796",
         "16704971 | 18285344"
        ],
        [
         "389",
         "SLM:000000702",
         "Isomeric subspecies",
         "1-O-octadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine",
         "PC(O-18:0/16:0)",
         "1-octadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine | Phosphatidylcholine (O-18:0/16:0)",
         "SLM:000000574",
         "SLM:000092238",
         "SLM:000000510 (sn2) / SLM:000000583 (sn1)",
         "CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC",
         "InChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/t41-/m1/s1",
         "InChIKey=GTFLTTXDLGEBAI-VQJSHJPSSA-N",
         "C42H86NO7P",
         "0.0",
         "748.108521",
         "747.614197",
         "747.613647",
         "748.62146",
         "786.577332",
         "770.603394",
         "754.629639",
         "765.64801",
         null,
         "782.583618",
         "806.628052",
         "75290",
         "LMGP01020086",
         null,
         "MNXM70860",
         "16704971"
        ],
        [
         "506",
         "SLM:000000829",
         "Isomeric subspecies",
         "eicosanoate",
         null,
         "Arachidate | Icosanoate",
         "SLM:000389800",
         null,
         null,
         "CCCCCCCCCCCCCCCCCCCC([O-])=O",
         "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/p-1",
         "InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-M",
         "C20H39O2",
         "-1.0",
         "311.523",
         "312.302831",
         "312.302282",
         "313.310107",
         "351.265989",
         "335.292052",
         "319.318286",
         "330.336656",
         "311.295554",
         "347.272232",
         "371.316683",
         "32360",
         "LMFA01010020",
         "HMDB02212",
         "MNXM2976",
         "10479480 | 10944470 | 11673457 | 12810727 | 15007068 | 16940157 | 20089856 | 20139604"
        ],
        [
         "513",
         "SLM:000000836",
         "Class",
         "Ins-1-P-6-Man-1-2-Ins-1-P-Cer",
         "M(IP)2C",
         "Inositol phosphomannosylinositol-1-phosphoceramide | mannosyl diphosphorylinositol ceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](COP([O-])(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C22H37NO24P2R2",
         "-2.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74997",
         null,
         null,
         null,
         "10931938 | 20727985 | 22322963"
        ],
        [
         "514",
         "SLM:000000838",
         "Isomeric subspecies",
         "N-(2-hydroxyhexadecanoyl)-sphing-4-enine",
         "Cer(d18:1(4E)/16:0-2OH)",
         "N-(2-hydroxyhexadecanoyl)-sphingosine | Cer(d18:1(4E)/16:1(9Z))",
         "SLM:000000413",
         null,
         null,
         "CCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)C=CCCCCCCCCCCCCC",
         "InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33?/m0/s1",
         "YWZGQPJRQXHVQX-HOXYDHSRSA-N",
         "C34H67NO4",
         "0.0",
         "553.9001",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76751",
         null,
         null,
         null,
         "15337768"
        ],
        [
         "556",
         "SLM:000000896",
         "Isomeric subspecies",
         "N-(docosanoyl)-sphing-4-enine",
         "Cer(d18:1(4E)/22:0)",
         "Ceramide (d18:1(4E)/22:0) | N-docosanoylsphingosine",
         "SLM:000000413",
         "SLM:000392149",
         "SLM:000000827 (n-acyl)",
         "CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C=C\\CCCCCCCCCCCCC",
         "InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1",
         "InChIKey=KEPQASGDXIEOIL-GLQCRSEXSA-N",
         "C40H79NO3",
         "0.0",
         "622.0602",
         "621.605995",
         "621.605447",
         "622.613272",
         "660.569154",
         "644.595216",
         "628.621451",
         "639.639821",
         "620.598719",
         "656.575397",
         "680.619848",
         "72966",
         "LMSP02010008",
         "HMDB04952",
         "MNXM46115",
         null
        ],
        [
         "559",
         "SLM:000000903",
         "Class",
         "Ceramide phosphate (d18:1(4E))",
         "CerP(d18:1(4E))",
         "N-acyl-sphingosine 1-phosphate | N-acylsphing-4-enine-1-phosphate | N-acylsphingosine 1-phosphate",
         "SLM:000399705",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])([O-])=O)NC([*])=O",
         "InChI=none",
         null,
         "C19H35NO6PR",
         "-2.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57674",
         null,
         null,
         "MNXM972",
         "15252046 | 8663293 | 9305923"
        ],
        [
         "569",
         "SLM:000000926",
         "Class",
         "Galactosyl ceramide (d18:1(4E))",
         "GalCer(d18:1(4E))",
         "Galactosyl ceramide(d18:1(4E)) | N-acyl-1-O-beta-D-galactosyl-sphing-4-enine",
         "SLM:000389698 | SLM:000399707",
         null,
         null,
         "C(=C/CCCCCCCCCCCCC)[C@@H](O)[C@@H](NC(=O)*)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O",
         null,
         null,
         "C25H46NO8R",
         "0.0",
         "488.636",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "18390",
         null,
         null,
         "MNXM521765",
         "16934889 | 23532839 | 24294900 | 8399327 | 8713090 | 8830034"
        ],
        [
         "572",
         "SLM:000000930",
         "Isomeric subspecies",
         "(11Z)-eicosenoate",
         null,
         "20:1(11Z) | Cis-gondoate",
         "SLM:000389821",
         null,
         null,
         "CCCCCCCC\\C=C/CCCCCCCCCC([O-])=O",
         "InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/p-1/b10-9-",
         "InChIKey=BITHHVVYSMSWAG-KTKRTIGZSA-M",
         "C20H37O2",
         "-1.0",
         "309.5071",
         "310.287181",
         "310.286632",
         "311.294457",
         "349.250339",
         "333.276402",
         "317.302636",
         "328.321006",
         "309.279904",
         "345.256582",
         "369.301033",
         "32426",
         "LMFA01030085",
         "HMDB02231",
         "MNXM7404",
         "20068046"
        ]
       ],
       "shape": {
        "columns": 29,
        "rows": 19853
       }
      },
      "text/html": [
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>SLM:000000101</td>\n",
       "      <td>Class</td>\n",
       "      <td>1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero...</td>\n",
       "      <td>PA</td>\n",
       "      <td>1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero...</td>\n",
       "      <td>SLM:000477285</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>O[C@@H](COP([O-])([O-])=O)COP([O-])(=O)OC[C@@H...</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>60110</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM871</td>\n",
       "      <td>20485265 | 9880566</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>SLM:000000147</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>N-(9Z-octadecenoyl)-ethanolamine</td>\n",
       "      <td>NAE (18:1(9Z))</td>\n",
       "      <td>(9Z-octadecenoyl)-ethanolamide | N-(9Z-octadec...</td>\n",
       "      <td>SLM:000000378</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCCCCC\\C=C/CCCCCCCC(=O)NCCO</td>\n",
       "      <td>InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12...</td>\n",
       "      <td>...</td>\n",
       "      <td>332.313535</td>\n",
       "      <td>343.331905</td>\n",
       "      <td>324.290803</td>\n",
       "      <td>360.267481</td>\n",
       "      <td>384.311932</td>\n",
       "      <td>71466</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB02088</td>\n",
       "      <td>MNXM107386</td>\n",
       "      <td>14634025 | 16527816 | 17015445 | 17626977 | 17...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>SLM:000000149</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>N-hexadecanoyl-ethanolamine</td>\n",
       "      <td>NAE (16:0)</td>\n",
       "      <td>hexadecanoyl-ethanolamide | N-hexadecanoyl eth...</td>\n",
       "      <td>SLM:000000378</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCCCCCCCCCCCCC(=O)NCCO</td>\n",
       "      <td>InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12...</td>\n",
       "      <td>...</td>\n",
       "      <td>306.297885</td>\n",
       "      <td>317.316255</td>\n",
       "      <td>298.275153</td>\n",
       "      <td>334.251831</td>\n",
       "      <td>358.296282</td>\n",
       "      <td>71464</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB02100</td>\n",
       "      <td>MNXM107548</td>\n",
       "      <td>12824167 | 14634025 | 15655246 | 15760304 | 16...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>SLM:000000178</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>N-(docosanoyl)-15-methylhexadecasphing-4-enine</td>\n",
       "      <td>Cer(iso-d17:1(4E)/22:0)</td>\n",
       "      <td>Ceramide (iso-d17:1(4E)/22:0) | N-docosanoyl-1...</td>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>SLM:000392021</td>\n",
       "      <td>SLM:000000827 (n-acyl)</td>\n",
       "      <td>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\...</td>\n",
       "      <td>InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-...</td>\n",
       "      <td>...</td>\n",
       "      <td>614.605801</td>\n",
       "      <td>625.624171</td>\n",
       "      <td>606.583069</td>\n",
       "      <td>642.559747</td>\n",
       "      <td>666.604198</td>\n",
       "      <td>71377</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM107026</td>\n",
       "      <td>19372430</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>SLM:000000179</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>N-(heneicosanoyl)-15-methylhexadecasphing-4-enine</td>\n",
       "      <td>Cer(iso-d17:1(4E)/21:0)</td>\n",
       "      <td>Ceramide (iso-d17:1(4E)/21:0) | N-henicosanoyl...</td>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>SLM:000392020</td>\n",
       "      <td>SLM:000001207 (n-acyl)</td>\n",
       "      <td>CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C...</td>\n",
       "      <td>InChI=1S/C38H75NO3/c1-4-5-6-7-8-9-10-11-12-13-...</td>\n",
       "      <td>...</td>\n",
       "      <td>600.590151</td>\n",
       "      <td>611.608521</td>\n",
       "      <td>592.567419</td>\n",
       "      <td>628.544097</td>\n",
       "      <td>652.588548</td>\n",
       "      <td>71375</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM107036</td>\n",
       "      <td>19372430</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745092</th>\n",
       "      <td>SLM:000747954</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>CDP-1,2-di-(13-methyltetradecanoyl)-sn-glycerol</td>\n",
       "      <td>CDP-DAG (iso15:0/iso15:0)</td>\n",
       "      <td>1,2-di-(13-methyltetradecanoyl)-sn-glycero-3-c...</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000047 (sn1 or sn2)</td>\n",
       "      <td>[H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...</td>\n",
       "      <td>InChI=1S/C42H77N3O15P2/c1-32(2)23-19-15-11-7-5...</td>\n",
       "      <td>...</td>\n",
       "      <td>932.498448</td>\n",
       "      <td>943.516818</td>\n",
       "      <td>924.475716</td>\n",
       "      <td>960.452394</td>\n",
       "      <td>984.496846</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116214</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745093</th>\n",
       "      <td>SLM:000747955</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>CDP-1-(13-methyltetradecanoyl)-2-(15-methylhex...</td>\n",
       "      <td>CDP-DAG (iso15:0/iso17:0)</td>\n",
       "      <td>1-(13-methyltetradecanoyl)-2-(15-methylhexadec...</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000047 (sn1) / SLM:000000048 (sn2)</td>\n",
       "      <td>[H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...</td>\n",
       "      <td>InChI=1S/C44H81N3O15P2/c1-34(2)25-21-17-13-9-6...</td>\n",
       "      <td>...</td>\n",
       "      <td>960.529748</td>\n",
       "      <td>971.548118</td>\n",
       "      <td>952.507016</td>\n",
       "      <td>988.483694</td>\n",
       "      <td>1012.528146</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116216</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745175</th>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>CDP-1-(15-methylhexadecanoyl)-2-(11-methyldode...</td>\n",
       "      <td>CDP-DAG (iso17:0/iso13:0)</td>\n",
       "      <td>1-(15-methylhexadecanoyl)-2-(11-methyldodecano...</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000001197 (sn2)</td>\n",
       "      <td>[H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...</td>\n",
       "      <td>InChI=1S/C42H77N3O15P2/c1-32(2)23-19-15-11-8-6...</td>\n",
       "      <td>...</td>\n",
       "      <td>932.498448</td>\n",
       "      <td>943.516818</td>\n",
       "      <td>924.475716</td>\n",
       "      <td>960.452394</td>\n",
       "      <td>984.496846</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116248</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745176</th>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>CDP-1-(15-methylhexadecanoyl)-2-(13-methyltetr...</td>\n",
       "      <td>CDP-DAG (iso17:0/iso15:0)</td>\n",
       "      <td>1-(15-methylhexadecanoyl)-2-(13-methyltetradec...</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000047 (sn2) / SLM:000000048 (sn1)</td>\n",
       "      <td>[H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...</td>\n",
       "      <td>InChI=1S/C44H81N3O15P2/c1-34(2)25-21-17-13-9-6...</td>\n",
       "      <td>...</td>\n",
       "      <td>960.529748</td>\n",
       "      <td>971.548118</td>\n",
       "      <td>952.507016</td>\n",
       "      <td>988.483694</td>\n",
       "      <td>1012.528146</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116250</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745177</th>\n",
       "      <td>SLM:000748039</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>CDP-1,2-di-(15-methylhexadecanoyl)-sn-glycerol</td>\n",
       "      <td>CDP-DAG (iso17:0/iso17:0)</td>\n",
       "      <td>1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-cy...</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000048 (sn1 or sn2)</td>\n",
       "      <td>[H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...</td>\n",
       "      <td>InChI=1S/C46H85N3O15P2/c1-36(2)27-23-19-15-11-...</td>\n",
       "      <td>...</td>\n",
       "      <td>988.561049</td>\n",
       "      <td>999.579419</td>\n",
       "      <td>980.538317</td>\n",
       "      <td>1016.514994</td>\n",
       "      <td>1040.559446</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116252</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>19853 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level  \\\n",
       "11      SLM:000000101                Class   \n",
       "17      SLM:000000147  Isomeric subspecies   \n",
       "18      SLM:000000149  Isomeric subspecies   \n",
       "19      SLM:000000178  Isomeric subspecies   \n",
       "20      SLM:000000179  Isomeric subspecies   \n",
       "...               ...                  ...   \n",
       "745092  SLM:000747954  Isomeric subspecies   \n",
       "745093  SLM:000747955  Isomeric subspecies   \n",
       "745175  SLM:000748037  Isomeric subspecies   \n",
       "745176  SLM:000748038  Isomeric subspecies   \n",
       "745177  SLM:000748039  Isomeric subspecies   \n",
       "\n",
       "                                                     Name  \\\n",
       "11      1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero...   \n",
       "17                       N-(9Z-octadecenoyl)-ethanolamine   \n",
       "18                            N-hexadecanoyl-ethanolamine   \n",
       "19         N-(docosanoyl)-15-methylhexadecasphing-4-enine   \n",
       "20      N-(heneicosanoyl)-15-methylhexadecasphing-4-enine   \n",
       "...                                                   ...   \n",
       "745092    CDP-1,2-di-(13-methyltetradecanoyl)-sn-glycerol   \n",
       "745093  CDP-1-(13-methyltetradecanoyl)-2-(15-methylhex...   \n",
       "745175  CDP-1-(15-methylhexadecanoyl)-2-(11-methyldode...   \n",
       "745176  CDP-1-(15-methylhexadecanoyl)-2-(13-methyltetr...   \n",
       "745177     CDP-1,2-di-(15-methylhexadecanoyl)-sn-glycerol   \n",
       "\n",
       "                    Abbreviation*  \\\n",
       "11                             PA   \n",
       "17                 NAE (18:1(9Z))   \n",
       "18                     NAE (16:0)   \n",
       "19        Cer(iso-d17:1(4E)/22:0)   \n",
       "20        Cer(iso-d17:1(4E)/21:0)   \n",
       "...                           ...   \n",
       "745092  CDP-DAG (iso15:0/iso15:0)   \n",
       "745093  CDP-DAG (iso15:0/iso17:0)   \n",
       "745175  CDP-DAG (iso17:0/iso13:0)   \n",
       "745176  CDP-DAG (iso17:0/iso15:0)   \n",
       "745177  CDP-DAG (iso17:0/iso17:0)   \n",
       "\n",
       "                                                Synonyms*   Lipid class*  \\\n",
       "11      1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero...  SLM:000477285   \n",
       "17      (9Z-octadecenoyl)-ethanolamide | N-(9Z-octadec...  SLM:000000378   \n",
       "18      hexadecanoyl-ethanolamide | N-hexadecanoyl eth...  SLM:000000378   \n",
       "19      Ceramide (iso-d17:1(4E)/22:0) | N-docosanoyl-1...  SLM:000000002   \n",
       "20      Ceramide (iso-d17:1(4E)/21:0) | N-henicosanoyl...  SLM:000000002   \n",
       "...                                                   ...            ...   \n",
       "745092  1,2-di-(13-methyltetradecanoyl)-sn-glycero-3-c...  SLM:000000084   \n",
       "745093  1-(13-methyltetradecanoyl)-2-(15-methylhexadec...  SLM:000000084   \n",
       "745175  1-(15-methylhexadecanoyl)-2-(11-methyldodecano...  SLM:000000084   \n",
       "745176  1-(15-methylhexadecanoyl)-2-(13-methyltetradec...  SLM:000000084   \n",
       "745177  1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-cy...  SLM:000000084   \n",
       "\n",
       "               Parent                                Components*  \\\n",
       "11                NaN                                        NaN   \n",
       "17                NaN                                        NaN   \n",
       "18                NaN                                        NaN   \n",
       "19      SLM:000392021                     SLM:000000827 (n-acyl)   \n",
       "20      SLM:000392020                     SLM:000001207 (n-acyl)   \n",
       "...               ...                                        ...   \n",
       "745092            NaN                 SLM:000000047 (sn1 or sn2)   \n",
       "745093            NaN  SLM:000000047 (sn1) / SLM:000000048 (sn2)   \n",
       "745175            NaN  SLM:000000048 (sn1) / SLM:000001197 (sn2)   \n",
       "745176            NaN  SLM:000000047 (sn2) / SLM:000000048 (sn1)   \n",
       "745177            NaN                 SLM:000000048 (sn1 or sn2)   \n",
       "\n",
       "                                           SMILES (pH7.3)  \\\n",
       "11      O[C@@H](COP([O-])([O-])=O)COP([O-])(=O)OC[C@@H...   \n",
       "17                          CCCCCCCC\\C=C/CCCCCCCC(=O)NCCO   \n",
       "18                               CCCCCCCCCCCCCCCC(=O)NCCO   \n",
       "19      CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\...   \n",
       "20      CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\\C...   \n",
       "...                                                   ...   \n",
       "745092  [H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...   \n",
       "745093  [H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...   \n",
       "745175  [H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...   \n",
       "745176  [H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...   \n",
       "745177  [H]Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(...   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "11                                             InChI=none  ...   \n",
       "17      InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12...  ...   \n",
       "18      InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12...  ...   \n",
       "19      InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-...  ...   \n",
       "20      InChI=1S/C38H75NO3/c1-4-5-6-7-8-9-10-11-12-13-...  ...   \n",
       "...                                                   ...  ...   \n",
       "745092  InChI=1S/C42H77N3O15P2/c1-32(2)23-19-15-11-7-5...  ...   \n",
       "745093  InChI=1S/C44H81N3O15P2/c1-34(2)25-21-17-13-9-6...  ...   \n",
       "745175  InChI=1S/C42H77N3O15P2/c1-32(2)23-19-15-11-8-6...  ...   \n",
       "745176  InChI=1S/C44H81N3O15P2/c1-34(2)25-21-17-13-9-6...  ...   \n",
       "745177  InChI=1S/C46H85N3O15P2/c1-36(2)27-23-19-15-11-...  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "11                      NaN                   NaN                  NaN   \n",
       "17               332.313535            343.331905           324.290803   \n",
       "18               306.297885            317.316255           298.275153   \n",
       "19               614.605801            625.624171           606.583069   \n",
       "20               600.590151            611.608521           592.567419   \n",
       "...                     ...                   ...                  ...   \n",
       "745092           932.498448            943.516818           924.475716   \n",
       "745093           960.529748            971.548118           952.507016   \n",
       "745175           932.498448            943.516818           924.475716   \n",
       "745176           960.529748            971.548118           952.507016   \n",
       "745177           988.561049            999.579419           980.538317   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-   CHEBI  LIPID MAPS  \\\n",
       "11                       NaN                     NaN  60110         NaN   \n",
       "17                360.267481              384.311932  71466         NaN   \n",
       "18                334.251831              358.296282  71464         NaN   \n",
       "19                642.559747              666.604198  71377         NaN   \n",
       "20                628.544097              652.588548  71375         NaN   \n",
       "...                      ...                     ...    ...         ...   \n",
       "745092            960.452394              984.496846    NaN         NaN   \n",
       "745093            988.483694             1012.528146    NaN         NaN   \n",
       "745175            960.452394              984.496846    NaN         NaN   \n",
       "745176            988.483694             1012.528146    NaN         NaN   \n",
       "745177           1016.514994             1040.559446    NaN         NaN   \n",
       "\n",
       "               HMDB    MetaNetX  \\\n",
       "11              NaN     MNXM871   \n",
       "17        HMDB02088  MNXM107386   \n",
       "18        HMDB02100  MNXM107548   \n",
       "19              NaN  MNXM107026   \n",
       "20              NaN  MNXM107036   \n",
       "...             ...         ...   \n",
       "745092  HMDB0116214         NaN   \n",
       "745093  HMDB0116216         NaN   \n",
       "745175  HMDB0116248         NaN   \n",
       "745176  HMDB0116250         NaN   \n",
       "745177  HMDB0116252         NaN   \n",
       "\n",
       "                                                     PMID  \n",
       "11                                     20485265 | 9880566  \n",
       "17      14634025 | 16527816 | 17015445 | 17626977 | 17...  \n",
       "18      12824167 | 14634025 | 15655246 | 15760304 | 16...  \n",
       "19                                               19372430  \n",
       "20                                               19372430  \n",
       "...                                                   ...  \n",
       "745092                                                NaN  \n",
       "745093                                                NaN  \n",
       "745175                                                NaN  \n",
       "745176                                                NaN  \n",
       "745177                                                NaN  \n",
       "\n",
       "[19853 rows x 29 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (|) in Lipid class*\n",
      "Found 119 rows with split characters\n"
     ]
    },
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Name",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Abbreviation*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Synonyms*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Lipid class*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Components*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "SMILES (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "LIPID MAPS",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "HMDB",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "MetaNetX",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "PMID",
         "rawType": "object",
         "type": "unknown"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "893e35a1-3ae7-4524-8cf6-1ff788353baa",
       "rows": [
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         "142",
         "SLM:000000392",
         "Class",
         "Ceramide phosphoinositol",
         "IPC",
         "Inositol-1-phosphoceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C10H17NO11PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64916",
         null,
         null,
         null,
         "10888667 | 20727985"
        ],
        [
         "234",
         "SLM:000000509",
         "Isomeric subspecies",
         "All-trans-retinyl hexadecanoate",
         null,
         "all-trans-retinyl palmitate",
         "SLM:000000982 | SLM:000508854",
         null,
         null,
         "CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C",
         "InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+",
         "VYGQUTWHTHXGQB-FFHKNEKCSA-N",
         "C36H60O2",
         "0.0",
         "524.8604",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17616",
         null,
         "HMDB03648",
         null,
         "10769148 | 10819989 | 12230550 | 15550674 | 15834126 | 15955102 | 16106050 | 16214399 | 16787387 | 17158102 | 17603008 | 20628054 | 25112876 | 9162045 | 9920938"
        ],
        [
         "315",
         "SLM:000000612",
         null,
         "tetracosenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782334",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O",
         null,
         null,
         "C45H76N7O17P3S",
         "-4.0",
         "1112.108",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74146",
         null,
         null,
         null,
         "18541923 | 20110363 | 20937905"
        ],
        [
         "317",
         "SLM:000000614",
         null,
         "hexacosenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782334",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O",
         null,
         null,
         "C47H80N7O17P3S",
         "-4.0",
         "1140.161",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74161",
         null,
         null,
         null,
         "18165233"
        ],
        [
         "319",
         "SLM:000000621",
         null,
         "2-hydroxy-tetracosenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782334",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)[*]",
         null,
         null,
         "C45H76N7O18P3S",
         "-4.0",
         "1128.10952",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74215",
         null,
         null,
         null,
         "18541923"
        ],
        [
         "512",
         "SLM:000000835",
         "Class",
         "Ceramide phosphomannosylinositol",
         "MIPC",
         "Mannosylinositol-1-phosphoceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*])[C@@H](O)[C@@H](O)[C@@H]1O",
         "InChI=none",
         null,
         "C16H27NO16PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64997",
         null,
         null,
         null,
         "10931938 | 11006294 | 20727985 | 22322963"
        ],
        [
         "513",
         "SLM:000000836",
         "Class",
         "Ins-1-P-6-Man-1-2-Ins-1-P-Cer",
         "M(IP)2C",
         "Inositol phosphomannosylinositol-1-phosphoceramide | mannosyl diphosphorylinositol ceramide",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC1O[C@H](COP([O-])(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C22H37NO24P2R2",
         "-2.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "74997",
         null,
         null,
         null,
         "10931938 | 20727985 | 22322963"
        ],
        [
         "550",
         "SLM:000000880",
         "Class",
         "Lactosyl ceramide (d18:1(4E))",
         "LacCer(d18:1(4E))",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-sphing-4-enine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C31H56NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17950",
         null,
         null,
         "MNXM527858",
         "10092602 | 10320813 | 10405317 | 10748143 | 10838196 | 10854427 | 10854428 | 11283017 | 11384981 | 12629211 | 15847605 | 16934889 | 21057870 | 21675735 | 23801329 | 30114188 | 3140234 | 8804427 | 8830034 | 9593693 | 9822625 | 9875239"
        ],
        [
         "569",
         "SLM:000000926",
         "Class",
         "Galactosyl ceramide (d18:1(4E))",
         "GalCer(d18:1(4E))",
         "Galactosyl ceramide(d18:1(4E)) | N-acyl-1-O-beta-D-galactosyl-sphing-4-enine",
         "SLM:000389698 | SLM:000399707",
         null,
         null,
         "C(=C/CCCCCCCCCCCCC)[C@@H](O)[C@@H](NC(=O)*)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O",
         null,
         null,
         "C25H46NO8R",
         "0.0",
         "488.636",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "18390",
         null,
         null,
         "MNXM521765",
         "16934889 | 23532839 | 24294900 | 8399327 | 8713090 | 8830034"
        ],
        [
         "610",
         "SLM:000001000",
         "Class",
         "Sphingomyelin",
         "SM",
         "Ceramide phosphocholine",
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "C[N+](C)(C)CCOP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*]",
         "InChI=none",
         null,
         null,
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64583",
         null,
         null,
         "MNXM354",
         "14741383 | 16702602 | 7654206"
        ],
        [
         "611",
         "SLM:000001005",
         "Class",
         "Sulfogalactosyl ceramide (d18:1(4E))",
         "SulfoGalCer(d18:1(4E))",
         "N-acyl-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine",
         "SLM:000399709 | SLM:000501351",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C25H45NO11SR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "75956",
         null,
         null,
         "MNXM683216",
         "24294900 | 8830034"
        ],
        [
         "644",
         "SLM:000001051",
         null,
         "2-methylacetoacetyl-CoA",
         null,
         null,
         "SLM:000000726  | SLM:000782258",
         null,
         null,
         "CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13?,15-,18-,19-,20+,24-/m1/s1",
         "NHNODHRSCRALBF-NQNBQJKNSA-J",
         "C26H38N7O18P3S",
         "-4.0",
         "861.602",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57335",
         null,
         null,
         null,
         "17371050 | 19706438"
        ],
        [
         "387295",
         "SLM:000389357",
         null,
         "nonanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782335",
         null,
         null,
         "CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1",
         "WLDUTYVSAGSKIV-FUEUKBNZSA-J",
         "C30H48N7O17P3S",
         "-4.0",
         "903.725",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76291",
         null,
         null,
         null,
         "16020546 | 18267944"
        ],
        [
         "387339",
         "SLM:000389419",
         "Isomeric subspecies",
         "All-trans-retinyl (9Z)-octadecenoate",
         null,
         "all-trans-retinyl oleate",
         "SLM:000000982 | SLM:000508854",
         null,
         null,
         "CCCCCCCCC=C/CCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C",
         "InChI=1S/C38H62O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h14-15,22,24-25,28-30H,7-13,16-21,23,26-27,31-32H2,1-6H3/b15-14-,25-22+,29-28+,33-24+,34-30+",
         "FXKDHZXYYBPLHI-TUTABMRPSA-N",
         "C38H62O2",
         "0.0",
         "550.8977",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70760",
         null,
         null,
         null,
         "17603008"
        ],
        [
         "387343",
         "SLM:000389425",
         "Class",
         "1-phosphosphingoid base",
         null,
         null,
         "SLM:000399815 | SLM:000501452",
         null,
         null,
         "[NH3+][C@@H](COP([O-])([O-])=O)[C@H](O)[*]",
         "InChI=none",
         null,
         "C3H8NO5PR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "76941",
         null,
         null,
         "MNXM453139",
         null
        ],
        [
         "387370",
         "SLM:000389470",
         null,
         "(2E)-pristenoyl-CoA",
         null,
         null,
         "SLM:000000814 | SLM:000782258",
         null,
         null,
         "CC(C)CCCC(C)CCCC(C)CCC=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1",
         "WLOASZHRLIOYIA-TXRROMTDSA-J",
         "C40H66N7O17P3S",
         "-4.0",
         "1041.977",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "77293",
         null,
         null,
         null,
         "1400324"
        ],
        [
         "387400",
         "SLM:000389511",
         null,
         "undecanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782335",
         null,
         null,
         "CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t21-,25-,26-,27+,31-/m1/s1",
         "InChIKey=IZWCGXGZGYKDHR-GRBGHKMPSA-J",
         "C32H52N7O17P3S",
         "-4.0",
         "931.78",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "77547",
         null,
         null,
         null,
         "16020546 | 8206942"
        ],
        [
         "387515",
         "SLM:000389681",
         "Class",
         "Sulfolactosyl ceramide (d18:1(4E))",
         "SulfoLacCer(d18:1(4E))",
         "N-acyl-beta-D-(3-O-sulfo)-galactosyl-(1->4)-beta-D-glucosyl-(1->1)-sphing-4-enine",
         "SLM:000399708 | SLM:000501187",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C31H55NO16SR",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78426",
         null,
         null,
         "MNXM683349",
         "8830034"
        ],
        [
         "387573",
         "SLM:000389754",
         null,
         "heptanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782335",
         null,
         null,
         "CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21-,22-,23+,27-/m1/s1",
         "InChIKey=CHVYGJMBUXUTSX-SVHODSNWSA-J",
         "C28H44N7O17P3S",
         "-4.0",
         "875.674",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78811",
         null,
         null,
         null,
         "10629181 | 18267944 | 8206942"
        ],
        [
         "387622",
         "SLM:000389818",
         null,
         "N-tetracosadienoylsphing-4-enine-1-phosphocholine",
         null,
         null,
         "SLM:000000567 | SLM:000390822",
         null,
         null,
         "CCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC([*])=O",
         "InChI=none",
         null,
         "C47H91N2O6P",
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "83852",
         null,
         null,
         null,
         null
        ],
        [
         "387625",
         "SLM:000389822",
         "Isomeric subspecies",
         "All-trans-retinyl octadecanoate",
         null,
         "all-trans-retinyl stearate",
         "SLM:000000982 | SLM:000508854",
         null,
         null,
         "CCCCCCCCCCCCCCCCCC(=O)OC\\C=C(C)\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C",
         "InChI=1S/C38H64O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+",
         "InChIKey=YNGACJMSLZMZOX-FPFNAQAWSA-N",
         "C38H64O2",
         "0.0",
         "552.9136",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70761",
         null,
         null,
         null,
         null
        ],
        [
         "387650",
         "SLM:000389855",
         null,
         "octadecanoyl-[ACP]",
         null,
         null,
         "SLM:000508866 | SLM:000508878",
         null,
         null,
         "CC(=C)[C@H]1Cc2cc(ccc2O1)C(C)=O",
         "InChI=1S/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H3/t13-/m1/s1",
         "InChIKey=UVYUUQGGBNKRFU-CYBMUJFWSA-N",
         "C13H14O2",
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "78495",
         null,
         null,
         null,
         null
        ],
        [
         "387664",
         "SLM:000389892",
         null,
         "(2Z,4Z)-2-hydroxyhexa-2,4-dienoate",
         null,
         null,
         "SLM:000389801 | SLM:000501333",
         null,
         null,
         "C\\C=C/C=C(\\O)C([O-])=O",
         "InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/p-1/b3-2-,5-4-",
         "InChIKey=VPGPQVKJUYKKNN-LDIADDGTSA-M",
         "C6H7O3",
         "-1.0",
         "127.118",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "63693",
         null,
         null,
         null,
         "17264217"
        ],
        [
         "387678",
         "SLM:000389948",
         null,
         "3-methylbut-2-enoyl-CoA",
         null,
         null,
         "SLM:000000814 | SLM:000597607",
         null,
         null,
         "CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1",
         "InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J",
         "C26H38N7O17P3S",
         "-4.0",
         "845.603",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57344",
         null,
         null,
         null,
         "25695631 | 26251176 | 7640268"
        ],
        [
         "387696",
         "SLM:000389977",
         null,
         "2-acyl-sn-glycero-1-phospho-(2'-acyl-1'-sn-glycerol)",
         null,
         null,
         "SLM:000477293 | SLM:000477294",
         null,
         null,
         "OC[C@@H](COP([O-])(=O)OC[C@H](CO)OC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C8H12O10PR2",
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "77720",
         null,
         null,
         null,
         null
        ],
        [
         "387782",
         "SLM:000390098",
         null,
         "prostaglandin D2-ethanolamide",
         null,
         null,
         "SLM:000000378 | SLM:000501315",
         null,
         null,
         "CCCCC[C@H](O)\\C=C\\[C@@H]1[C@@H](C\\C=C/CCCC(=O)NCCO)[C@@H](O)CC1=O",
         "InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1",
         "InChIKey=KEYDJKSQFDUAGF-YIRKRNQHSA-N",
         "C22H37NO5",
         "0.0",
         "395.5329",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "85174",
         null,
         null,
         null,
         "15047184"
        ],
        [
         "387835",
         "SLM:000390155",
         null,
         "12-hydroxyoctadecanoyl-CoA",
         null,
         null,
         "SLM:000389958 | SLM:000390052",
         null,
         null,
         "CCCCCCC(O)CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C39H70N7O18P3S/c1-4-5-6-13-16-27(47)17-14-11-9-7-8-10-12-15-18-30(49)68-22-21-41-29(48)19-20-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27?,28-,32-,33-,34+,38-/m1/s1",
         "InChIKey=MPIAMAMOXFUBTE-FWBOWLIOSA-J",
         "C39H66N7O18P3S",
         "-4.0",
         "1045.966",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84202",
         null,
         null,
         null,
         "15984864"
        ],
        [
         "387840",
         "SLM:000390160",
         null,
         "9-decenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782335",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C",
         "InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h4,18-20,24-26,30,41-42H,1,5-17H2,2-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1",
         "InChIKey=BDHWPVPKCWWQPF-HSJNEKGZSA-J",
         "C31H48N7O17P3S",
         "-4.0",
         "915.738",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84214",
         null,
         null,
         null,
         "15984864"
        ],
        [
         "387888",
         "SLM:000390210",
         null,
         "(3Z)-hexenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782333",
         null,
         null,
         "CC\\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5-/t16-,20-,21-,22+,26-/m1/s1",
         "InChIKey=SKDDJNFRAZIJIG-KEOONSNPSA-J",
         "C27H40N7O17P3S",
         "-4.0",
         "859.632",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "85415",
         null,
         null,
         null,
         "2303409"
        ],
        [
         "387903",
         "SLM:000390229",
         null,
         "(S)-4-hydroxy-2-oxohexanoate",
         null,
         null,
         "SLM:000501327 | SLM:000782294",
         null,
         null,
         "CC[C@H](O)CC(=O)C([O-])=O",
         "InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)/p-1/t4-/m0/s1",
         "InChIKey=ALFQPWXBAWHVDP-BYPYZUCNSA-M",
         "C6H9O4",
         "-1.0",
         "145.1333",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "73142",
         null,
         null,
         null,
         "23614353"
        ],
        [
         "397375",
         "SLM:000399705",
         "Class",
         "Ceramide phosphate",
         "CerP",
         null,
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "O[C@H]([*])[C@H](COP([O-])([O-])=O)NC([*])=O",
         "InChI=none",
         null,
         "C4H6NO6PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84404",
         null,
         null,
         "MNXM972",
         null
        ],
        [
         "397376",
         "SLM:000399706",
         "Class",
         "Ceramide phosphoethanolamine",
         "PE-Cer",
         null,
         "SLM:000000834 | SLM:000399815",
         null,
         null,
         "[NH3+]CCOP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*]",
         "InChI=none",
         null,
         "C6H13N2O6PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "73202",
         null,
         null,
         "MNXM158322",
         null
        ],
        [
         "397377",
         "SLM:000399707",
         "Class",
         "Hexosyl ceramide",
         "HexCer",
         "N-acyl-sphingoid base-1-O-hexosyl",
         "SLM:000000834 | SLM:000399813",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "62941",
         null,
         null,
         "MNXM526258",
         null
        ],
        [
         "397378",
         "SLM:000399708",
         "Class",
         "Dihexosyl ceramide",
         "Hex2Cer",
         null,
         "SLM:000000834 | SLM:000399813",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "63415",
         null,
         null,
         "MNXM510877",
         null
        ],
        [
         "397379",
         "SLM:000399709",
         "Class",
         "Sulfohexosyl ceramide",
         "SulfoHexCer",
         null,
         "SLM:000000834 | SLM:000399817",
         null,
         null,
         null,
         "InChI=none",
         null,
         null,
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84732",
         null,
         null,
         "MNXM683218",
         null
        ],
        [
         "397380",
         "SLM:000399710",
         "Class",
         "Sulfodihexosyl ceramide",
         "SulfoHex2Cer",
         null,
         "SLM:000000834 | SLM:000399817",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "84733",
         null,
         null,
         "MNXM683085",
         null
        ],
        [
         "397384",
         "SLM:000399777",
         "Class",
         "Lactosyl ceramide (d20:0)",
         "LacCer(d20:0)",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-eicosasphinganine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C33H62NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82990 ",
         null,
         null,
         "MNXM527859",
         null
        ],
        [
         "397385",
         "SLM:000399778",
         "Class",
         "Lactosyl ceramide (d20:1(4E))",
         "LacCer(d20:1(4E))",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-eicosasphing-4-enine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C33H60NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82989",
         null,
         null,
         "MNXM158431",
         null
        ],
        [
         "397387",
         "SLM:000399780",
         "Class",
         "Lactosyl ceramide (d18:0)",
         "LacCer(d18:0)",
         "N-acyl-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-sphinganine",
         "SLM:000399708 | SLM:000501064",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C31H58NO13R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82926",
         null,
         null,
         "MNXM158432",
         null
        ],
        [
         "397389",
         "SLM:000399782",
         "Class",
         "Galactosyl ceramide (d18:0)",
         "GalCer(d18:0)",
         "N-acyl-1-O-beta-D-galactosyl-sphinganine",
         "SLM:000389698 | SLM:000399707",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C25H48NO8R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "82920",
         null,
         null,
         "MNXM521764",
         null
        ],
        [
         "397436",
         "SLM:000399834",
         null,
         "omega-hydroxy-3,7,11,15-tetramethyl-hexadecanoate",
         null,
         null,
         "SLM:000389429 | SLM:000782276",
         null,
         null,
         "CC(CO)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O",
         "InChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)/p-1",
         "InChIKey=CBZPGRKSSXCZLI-UHFFFAOYSA-M",
         "C20H39O3",
         "-1.0",
         "327.5224",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "83916",
         null,
         null,
         null,
         "19933331"
        ],
        [
         "397467",
         "SLM:000399868",
         null,
         "(3Z)-octenoyl-CoA",
         null,
         null,
         "SLM:000390051 | SLM:000782333",
         null,
         null,
         "CCCC\\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h7-8,16-18,22-24,28,39-40H,4-6,9-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b8-7-/t18-,22-,23-,24+,28-/m1/s1",
         "InChIKey=CSCVMTFVEARIET-IJKSGAABSA-J",
         "C29H44N7O17P3S",
         "-4.0",
         "887.685",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "85640",
         null,
         null,
         null,
         "10419495 | 11781327 | 7818490"
        ],
        [
         "487239",
         "SLM:000489918",
         "Class",
         "Ganglioside",
         "Ganglio",
         "Ganglio-series",
         "SLM:000000834 | SLM:000399813",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "28892",
         null,
         null,
         "MNXM54362",
         null
        ],
        [
         "487286",
         "SLM:000489966",
         null,
         "(E)-2-methylcrotonoyl-CoA",
         null,
         null,
         "SLM:000000814 | SLM:000782258",
         null,
         null,
         "C\\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b14-5+/t15-,18-,19-,20+,24-/m1/s1",
         "PMWATMXOQQZNBX-DKBZLLMOSA-J",
         "C26H38N7O17P3S",
         "-4.0",
         "845.603",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57337",
         null,
         null,
         null,
         "11013134 | 6874697 | 7698750"
        ],
        [
         "498368",
         "SLM:000501054",
         null,
         "(7Z)-hexadecenoyl-CoA",
         null,
         null,
         "SLM:000389958 | SLM:000390051",
         null,
         null,
         "[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCC/C=C\\CCCCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O",
         "InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b12-11-/t26-,30-,31-,32+,36-/m1/s1",
         "MJWMOLDKMBISOB-YDGGZUKGSA-J",
         "C37H60N7O17P3S",
         "-4.0",
         "999.898",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "87698",
         null,
         null,
         null,
         "8063752"
        ],
        [
         "498379",
         "SLM:000501071",
         null,
         "tricosanoyl-CoA",
         null,
         null,
         "SLM:000390052 | SLM:000782334",
         null,
         null,
         "[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O",
         "InChI=1S/C44H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h31-33,37-39,43,54-55H,4-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/p-4/t33-,37-,38-,39+,43-/m1/s1",
         "GBAQBZWAXMYXRJ-IDCBOFBBSA-J",
         "C44H76N7O17P3S",
         "-4.0",
         "1100.1",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "90118",
         null,
         null,
         null,
         "21237683"
        ],
        [
         "498438",
         "SLM:000501170",
         null,
         "3-hydroxyisovaleryl-CoA",
         null,
         null,
         "SLM:000389969 | SLM:000782258",
         null,
         null,
         "CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,18-,19-,20+,24-/m1/s1",
         "PEVZKILCBDEOBT-CITAKDKDSA-J",
         "C26H40N7O18P3S",
         "-4.0",
         "863.618",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "62555",
         null,
         null,
         null,
         "26251176"
        ],
        [
         "498470",
         "SLM:000501207",
         "Isomeric subspecies",
         "Resolvin E1",
         "RvE1",
         "18-oxo-(5S,12R)-dihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate",
         "SLM:000508853 | SLM:000782221",
         null,
         null,
         "C(\\[C@H](CCCC([O-])=O)O)=C\\C=C\\C=C\\[C@@H](C\\C=C/C=C/[C@@H](CC)O)O",
         "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1",
         "InChIKey=AOPOCGPBAIARAV-OTBJXLELSA-M",
         "C20H29O5",
         "-1.0",
         "349.448",
         "350.209324",
         "350.208775",
         "351.216601",
         "389.172482",
         "373.198545",
         "357.22478",
         "368.24315",
         "349.202048",
         "385.178725",
         "409.223177",
         "91000",
         "LMFA03140003",
         null,
         "MNXM80716",
         "15753205 | 16757471 | 17339491 | 21206090"
        ],
        [
         "498471",
         "SLM:000501208",
         "Isomeric subspecies",
         "18-oxo-resolvin E1",
         "18-keto-RvE1 | 18-oxo-RvE1",
         "18-oxo-(5S,12R)-dihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate",
         "SLM:000508853 | SLM:000782221",
         null,
         null,
         "C(\\[C@H](CCCC([O-])=O)O)=C\\C=C\\C=C\\[C@@H](C/C=C\\C=C\\C(CC)=O)O",
         "InChI=1S/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,18-19,22-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t18-,19+/m0/s1",
         "InChIKey=CMOJNYRANQREGD-IJDHQMKWSA-M",
         "C20H27O5 ",
         "-1.0",
         "347.432",
         "348.193674",
         "348.193125",
         "349.20095",
         "387.156832",
         "371.182895",
         "355.209129",
         "366.2275",
         "347.186398",
         "383.163075",
         "407.207527",
         "91001",
         " LMFA03140012",
         null,
         "MNXM33765",
         "16757471"
        ],
        [
         "498584",
         "SLM:000501339",
         null,
         "(3Z)-tetradecenoyl-CoA",
         null,
         null,
         "SLM:000389958 | SLM:000390051",
         null,
         null,
         "CCCCCCCCCC\\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h13-14,22-24,28-30,34,45-46H,4-12,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b14-13-/t24-,28-,29-,30+,34-/m1/s1",
         "SSOCUKXLUZQJHU-AOVQAXKGSA-J",
         "C35H56N7O17P3S",
         "-4.0",
         "971.842",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "61968",
         null,
         null,
         null,
         "11781327"
        ]
       ],
       "shape": {
        "columns": 29,
        "rows": 119
       }
      },
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>142</th>\n",
       "      <td>SLM:000000392</td>\n",
       "      <td>Class</td>\n",
       "      <td>Ceramide phosphoinositol</td>\n",
       "      <td>IPC</td>\n",
       "      <td>Inositol-1-phosphoceramide</td>\n",
       "      <td>SLM:000000834 | SLM:000399815</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>O[C@H]([*])[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[...</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>64916</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>10888667 | 20727985</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>234</th>\n",
       "      <td>SLM:000000509</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>All-trans-retinyl hexadecanoate</td>\n",
       "      <td>NaN</td>\n",
       "      <td>all-trans-retinyl palmitate</td>\n",
       "      <td>SLM:000000982 | SLM:000508854</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C...</td>\n",
       "      <td>InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17616</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB03648</td>\n",
       "      <td>NaN</td>\n",
       "      <td>10769148 | 10819989 | 12230550 | 15550674 | 15...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>315</th>\n",
       "      <td>SLM:000000612</td>\n",
       "      <td>NaN</td>\n",
       "      <td>tetracosenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390051 | SLM:000782334</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74146</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18541923 | 20110363 | 20937905</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>317</th>\n",
       "      <td>SLM:000000614</td>\n",
       "      <td>NaN</td>\n",
       "      <td>hexacosenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390051 | SLM:000782334</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74161</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18165233</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>319</th>\n",
       "      <td>SLM:000000621</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2-hydroxy-tetracosenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390051 | SLM:000782334</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74215</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>18541923</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>755324</th>\n",
       "      <td>SLM:000758294</td>\n",
       "      <td>Class</td>\n",
       "      <td>Globoside</td>\n",
       "      <td>Globo</td>\n",
       "      <td>Globo-series</td>\n",
       "      <td>SLM:000000834 | SLM:000399813</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>61360</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>755325</th>\n",
       "      <td>SLM:000758295</td>\n",
       "      <td>Class</td>\n",
       "      <td>Isogloboside</td>\n",
       "      <td>Isoglobo</td>\n",
       "      <td>Isoglobo-series</td>\n",
       "      <td>SLM:000000834 | SLM:000399813</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>78257</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779141</th>\n",
       "      <td>SLM:000782221</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Resolvin E</td>\n",
       "      <td>RvE</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000501332 | SLM:000508853</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>LMFA0314</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779142</th>\n",
       "      <td>SLM:000782222</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Resolvin D</td>\n",
       "      <td>RvD</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000501331 | SLM:000508853</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>LMFA0403</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>779157</th>\n",
       "      <td>SLM:000782237</td>\n",
       "      <td>NaN</td>\n",
       "      <td>an N-(omega-(9Z,12Z-octadecadienoyloxy)-ultra-...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000413 | SLM:000782274</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)*COC(...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>157662</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>119 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level  \\\n",
       "142     SLM:000000392                Class   \n",
       "234     SLM:000000509  Isomeric subspecies   \n",
       "315     SLM:000000612                  NaN   \n",
       "317     SLM:000000614                  NaN   \n",
       "319     SLM:000000621                  NaN   \n",
       "...               ...                  ...   \n",
       "755324  SLM:000758294                Class   \n",
       "755325  SLM:000758295                Class   \n",
       "779141  SLM:000782221                  NaN   \n",
       "779142  SLM:000782222                  NaN   \n",
       "779157  SLM:000782237                  NaN   \n",
       "\n",
       "                                                     Name Abbreviation*  \\\n",
       "142                              Ceramide phosphoinositol           IPC   \n",
       "234                       All-trans-retinyl hexadecanoate           NaN   \n",
       "315                                     tetracosenoyl-CoA           NaN   \n",
       "317                                      hexacosenoyl-CoA           NaN   \n",
       "319                           2-hydroxy-tetracosenoyl-CoA           NaN   \n",
       "...                                                   ...           ...   \n",
       "755324                                          Globoside         Globo   \n",
       "755325                                       Isogloboside      Isoglobo   \n",
       "779141                                         Resolvin E           RvE   \n",
       "779142                                         Resolvin D           RvD   \n",
       "779157  an N-(omega-(9Z,12Z-octadecadienoyloxy)-ultra-...           NaN   \n",
       "\n",
       "                          Synonyms*                   Lipid class* Parent  \\\n",
       "142      Inositol-1-phosphoceramide  SLM:000000834 | SLM:000399815    NaN   \n",
       "234     all-trans-retinyl palmitate  SLM:000000982 | SLM:000508854    NaN   \n",
       "315                             NaN  SLM:000390051 | SLM:000782334    NaN   \n",
       "317                             NaN  SLM:000390051 | SLM:000782334    NaN   \n",
       "319                             NaN  SLM:000390051 | SLM:000782334    NaN   \n",
       "...                             ...                            ...    ...   \n",
       "755324                 Globo-series  SLM:000000834 | SLM:000399813    NaN   \n",
       "755325              Isoglobo-series  SLM:000000834 | SLM:000399813    NaN   \n",
       "779141                          NaN  SLM:000501332 | SLM:000508853    NaN   \n",
       "779142                          NaN  SLM:000501331 | SLM:000508853    NaN   \n",
       "779157                          NaN  SLM:000000413 | SLM:000782274    NaN   \n",
       "\n",
       "       Components*                                     SMILES (pH7.3)  \\\n",
       "142            NaN  O[C@H]([*])[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[...   \n",
       "234            NaN  CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C...   \n",
       "315            NaN  CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...   \n",
       "317            NaN  CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...   \n",
       "319            NaN  CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](...   \n",
       "...            ...                                                ...   \n",
       "755324         NaN                                                NaN   \n",
       "755325         NaN                                                NaN   \n",
       "779141         NaN                                                NaN   \n",
       "779142         NaN                                                NaN   \n",
       "779157         NaN  [C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)*COC(...   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "142                                            InChI=none  ...   \n",
       "234     InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-1...  ...   \n",
       "315                                                   NaN  ...   \n",
       "317                                                   NaN  ...   \n",
       "319                                                   NaN  ...   \n",
       "...                                                   ...  ...   \n",
       "755324                                                NaN  ...   \n",
       "755325                                                NaN  ...   \n",
       "779141                                         InChI=none  ...   \n",
       "779142                                         InChI=none  ...   \n",
       "779157                                                NaN  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "142                     NaN                   NaN                  NaN   \n",
       "234                     NaN                   NaN                  NaN   \n",
       "315                     NaN                   NaN                  NaN   \n",
       "317                     NaN                   NaN                  NaN   \n",
       "319                     NaN                   NaN                  NaN   \n",
       "...                     ...                   ...                  ...   \n",
       "755324                  NaN                   NaN                  NaN   \n",
       "755325                  NaN                   NaN                  NaN   \n",
       "779141                  NaN                   NaN                  NaN   \n",
       "779142                  NaN                   NaN                  NaN   \n",
       "779157                  NaN                   NaN                  NaN   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-    CHEBI  LIPID MAPS  \\\n",
       "142                      NaN                     NaN   64916         NaN   \n",
       "234                      NaN                     NaN   17616         NaN   \n",
       "315                      NaN                     NaN   74146         NaN   \n",
       "317                      NaN                     NaN   74161         NaN   \n",
       "319                      NaN                     NaN   74215         NaN   \n",
       "...                      ...                     ...     ...         ...   \n",
       "755324                   NaN                     NaN   61360         NaN   \n",
       "755325                   NaN                     NaN   78257         NaN   \n",
       "779141                   NaN                     NaN     NaN    LMFA0314   \n",
       "779142                   NaN                     NaN     NaN    LMFA0403   \n",
       "779157                   NaN                     NaN  157662         NaN   \n",
       "\n",
       "             HMDB  MetaNetX                                               PMID  \n",
       "142           NaN       NaN                                10888667 | 20727985  \n",
       "234     HMDB03648       NaN  10769148 | 10819989 | 12230550 | 15550674 | 15...  \n",
       "315           NaN       NaN                     18541923 | 20110363 | 20937905  \n",
       "317           NaN       NaN                                           18165233  \n",
       "319           NaN       NaN                                           18541923  \n",
       "...           ...       ...                                                ...  \n",
       "755324        NaN       NaN                                                NaN  \n",
       "755325        NaN       NaN                                                NaN  \n",
       "779141        NaN       NaN                                                NaN  \n",
       "779142        NaN       NaN                                                NaN  \n",
       "779157        NaN       NaN                                                NaN  \n",
       "\n",
       "[119 rows x 29 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (|) in Parent\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in Components*\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in SMILES (pH7.3)\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in InChI (pH7.3)\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in InChI key (pH7.3)\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in Formula (pH7.3)\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in Charge (pH7.3)\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Mass (pH7.3)\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact Mass (neutral form)\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M.]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+H]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+K]+ \n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+Na]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+Li]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+NH4]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M-H]-\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+Cl]-\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in Exact m/z of [M+OAc]- \n",
      "Not a string column\n",
      "\n",
      "Checking split characters (|) in CHEBI\n",
      "Found 3 rows with split characters\n"
     ]
    },
    {
     "data": {
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       "columns": [
        {
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        {
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        },
        {
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         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "string"
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         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "string"
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        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
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        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
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        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
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        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
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        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
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        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
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        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "string"
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        {
         "name": "LIPID MAPS",
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        {
         "name": "HMDB",
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         "name": "PMID",
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       ],
       "conversionMethod": "pd.DataFrame",
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       "rows": [
        [
         "465",
         "SLM:000000784",
         "Isomeric subspecies",
         "1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphate",
         "PA(18:1(9Z)/18:1(9Z))",
         "Phosphatidate (18:1(9Z)/18:1(9Z))",
         "SLM:000000329",
         "SLM:000082169",
         "SLM:000000418 (sn1 or sn2)",
         "CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\\C=C/CCCCCCCC",
         "InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/p-2/b19-17-,20-18-/t37-/m1/s1",
         "InChIKey=MHUWZNTUIIFHAS-DSSVUWSHSA-L",
         "C39H71O8P",
         "-2.0",
         "698.951111",
         "700.504333",
         "700.503784",
         "701.511597",
         "739.467468",
         "723.49353",
         "707.519775",
         "718.538147",
         "699.497009",
         "735.473694",
         "759.518188",
         "74546 | 82922",
         "LMGP10010962",
         "HMDB07865",
         "MNXM51075",
         "11309392 | 14634025 | 14665624 | 15164764 | 15252046 | 15544348 | 15629135 | 15760304 | 15939762 | 16527816 | 16620771 | 17535816 | 17652094 | 17655883 | 17726007 | 18004883 | 18458076 | 18606822 | 19318427 | 19744926 | 19801371 | 20016004 | 20231281 | 20332534 | 20363836 | 21173190 | 21550973 | 21801852 | 21873652 | 21878620 | 22108654 | 22560221 | 22627129 | 22825852 | 22905194 | 22922100 | 23335564 | 23949095 | 25375833 | 25423491 | 26417903 | 8034597 | 8626588 | 9099683 | 9159104 | 9305923 | 9461603 | 9607309 | 9830018"
        ],
        [
         "387185",
         "SLM:000389154",
         null,
         "(14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate",
         null,
         "Fatty acid 32:5(14Z,17Z,20Z,23Z,26Z)",
         "SLM:000389801",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCCCCCCCCCC([O-])=O",
         "InChI=1S/C32H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-31H2,1H3,(H,33,34)/p-1/b7-6-,10-9-,13-12-,16-15-,19-18-",
         "InChIKey=SOJWNXGBEWFLQL-WMPRHZDHSA-M",
         "C32H53O2",
         "-1.0",
         "469.7626",
         "470.412381",
         "470.411832",
         "471.419657",
         "509.375539",
         "493.401602",
         "477.427836",
         "488.446207",
         "469.405105",
         "505.381782",
         "529.426234",
         "82731 | CHEBI:82731",
         "LMFA01030848",
         null,
         null,
         null
        ],
        [
         "595221",
         "SLM:000598072",
         null,
         "all-trans-retinol--[retinol-binding protein]",
         null,
         null,
         "SLM:000000982",
         null,
         null,
         "[*][C@H](N-*)C(-*)=O",
         "InChI=none",
         null,
         "C2H2NOR",
         "0.0",
         "56.0434",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17336 | 83228",
         null,
         null,
         null,
         "20628054 | 28758396"
        ]
       ],
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        "columns": 29,
        "rows": 3
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>465</th>\n",
       "      <td>SLM:000000784</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphate</td>\n",
       "      <td>PA(18:1(9Z)/18:1(9Z))</td>\n",
       "      <td>Phosphatidate (18:1(9Z)/18:1(9Z))</td>\n",
       "      <td>SLM:000000329</td>\n",
       "      <td>SLM:000082169</td>\n",
       "      <td>SLM:000000418 (sn1 or sn2)</td>\n",
       "      <td>CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-...</td>\n",
       "      <td>InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-2...</td>\n",
       "      <td>...</td>\n",
       "      <td>707.519775</td>\n",
       "      <td>718.538147</td>\n",
       "      <td>699.497009</td>\n",
       "      <td>735.473694</td>\n",
       "      <td>759.518188</td>\n",
       "      <td>74546 | 82922</td>\n",
       "      <td>LMGP10010962</td>\n",
       "      <td>HMDB07865</td>\n",
       "      <td>MNXM51075</td>\n",
       "      <td>11309392 | 14634025 | 14665624 | 15164764 | 15...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>387185</th>\n",
       "      <td>SLM:000389154</td>\n",
       "      <td>NaN</td>\n",
       "      <td>(14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Fatty acid 32:5(14Z,17Z,20Z,23Z,26Z)</td>\n",
       "      <td>SLM:000389801</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCCCCCCCCC...</td>\n",
       "      <td>InChI=1S/C32H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-...</td>\n",
       "      <td>...</td>\n",
       "      <td>477.427836</td>\n",
       "      <td>488.446207</td>\n",
       "      <td>469.405105</td>\n",
       "      <td>505.381782</td>\n",
       "      <td>529.426234</td>\n",
       "      <td>82731 | CHEBI:82731</td>\n",
       "      <td>LMFA01030848</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595221</th>\n",
       "      <td>SLM:000598072</td>\n",
       "      <td>NaN</td>\n",
       "      <td>all-trans-retinol--[retinol-binding protein]</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000982</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[*][C@H](N-*)C(-*)=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17336 | 83228</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>20628054 | 28758396</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>3 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level  \\\n",
       "465     SLM:000000784  Isomeric subspecies   \n",
       "387185  SLM:000389154                  NaN   \n",
       "595221  SLM:000598072                  NaN   \n",
       "\n",
       "                                                   Name  \\\n",
       "465     1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphate   \n",
       "387185     (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate   \n",
       "595221     all-trans-retinol--[retinol-binding protein]   \n",
       "\n",
       "                Abbreviation*                             Synonyms*  \\\n",
       "465     PA(18:1(9Z)/18:1(9Z))     Phosphatidate (18:1(9Z)/18:1(9Z))   \n",
       "387185                    NaN  Fatty acid 32:5(14Z,17Z,20Z,23Z,26Z)   \n",
       "595221                    NaN                                   NaN   \n",
       "\n",
       "         Lipid class*         Parent                 Components*  \\\n",
       "465     SLM:000000329  SLM:000082169  SLM:000000418 (sn1 or sn2)   \n",
       "387185  SLM:000389801            NaN                         NaN   \n",
       "595221  SLM:000000982            NaN                         NaN   \n",
       "\n",
       "                                           SMILES (pH7.3)  \\\n",
       "465     CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-...   \n",
       "387185  CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCCCCCCCCC...   \n",
       "595221                               [*][C@H](N-*)C(-*)=O   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "465     InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-2...  ...   \n",
       "387185  InChI=1S/C32H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-...  ...   \n",
       "595221                                         InChI=none  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "465              707.519775            718.538147           699.497009   \n",
       "387185           477.427836            488.446207           469.405105   \n",
       "595221                  NaN                   NaN                  NaN   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-                 CHEBI  \\\n",
       "465               735.473694              759.518188        74546 | 82922   \n",
       "387185            505.381782              529.426234  82731 | CHEBI:82731   \n",
       "595221                   NaN                     NaN        17336 | 83228   \n",
       "\n",
       "          LIPID MAPS       HMDB   MetaNetX  \\\n",
       "465     LMGP10010962  HMDB07865  MNXM51075   \n",
       "387185  LMFA01030848        NaN        NaN   \n",
       "595221           NaN        NaN        NaN   \n",
       "\n",
       "                                                     PMID  \n",
       "465     11309392 | 14634025 | 14665624 | 15164764 | 15...  \n",
       "387185                                                NaN  \n",
       "595221                                20628054 | 28758396  \n",
       "\n",
       "[3 rows x 29 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (|) in LIPID MAPS\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in HMDB\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in MetaNetX\n",
      "No rows found\n",
      "\n",
      "Checking split characters (|) in PMID\n",
      "Found 1318 rows with split characters\n"
     ]
    },
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Name",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Abbreviation*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Synonyms*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Lipid class*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Components*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "SMILES (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "LIPID MAPS",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "HMDB",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "MetaNetX",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "PMID",
         "rawType": "object",
         "type": "string"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "ac1397bf-7eaf-4086-ad71-cb43161b3c27",
       "rows": [
        [
         "0",
         "SLM:000000002",
         "Class",
         "Ceramide (iso-d17:1(4E))",
         "Cer(iso-d17:1(4E))",
         "N-acyl-15-methylhexadecasphing-4-enine",
         "SLM:000399814",
         null,
         null,
         "CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO)NC([*])=O",
         "InChI=none",
         null,
         "C18H34NO3R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70846",
         null,
         null,
         "MNXM97012",
         " | 11443131 | 14685263 | 18390550 | 21325339 | 21926990 | 9603947"
        ],
        [
         "3",
         "SLM:000000007",
         "Class",
         "Sphingomyelin (iso-d17:1(4E))",
         "SM(iso-d17:1(4E))",
         "N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine",
         "SLM:000001000",
         null,
         null,
         "CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC([*])=O",
         "InChI=none",
         null,
         "C23H46N2O6PR",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70775",
         null,
         null,
         "MNXM97113",
         "14685263 | 21926990 | 9603947"
        ],
        [
         "4",
         "SLM:000000035",
         "Isomeric subspecies",
         "sphinganine",
         null,
         null,
         "SLM:000390097",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO",
         "InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/p+1/t17-,18+/m0/s1",
         "InChIKey=OTKJDMGTUTTYMP-ZWKOTPCHSA-O",
         "C18H40NO2",
         "1.0",
         "302.5157",
         "301.29808",
         "301.297531",
         "302.305356",
         "340.261238",
         "324.287301",
         "308.313535",
         "319.331905",
         "300.290803",
         "336.267481",
         "360.311932",
         "57817",
         "LMSP01020001",
         "HMDB00269",
         "MNXM302",
         "10652340 | 10702247 | 10751414 | 10802064 | 10900202 | 11694577 | 11923095 | 12034738 | 12105227 | 12411432 | 12764132 | 12815058 | 12869556 | 12912983 | 15328338 | 15692566 | 15823095 | 16753040 | 17977534 | 18165233 | 18541923 | 19372430 | 20068046 | 20110363 | 20139604 | 20207939 | 22038835 | 22144673 | 22661289 | 23530041 | 25345524 | 31916624 | 9353337 | 9556590 | 9677363  | 9726979 | 9804843"
        ],
        [
         "5",
         "SLM:000000042",
         "Isomeric subspecies",
         "cholesta-5,7-dien-3beta-ol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C",
         "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=UCTLRSWJYQTBFZ-AXQHIUEBSA-N",
         "C27H44O",
         "0.0",
         "384.648",
         "384.339216",
         "384.338667",
         "385.346492",
         "423.302374",
         "407.328437",
         "391.354671",
         "402.373042",
         "383.33194",
         "419.308617",
         "443.353069",
         "17759",
         "LMST01010069",
         "HMDB00032",
         "MNXM710",
         "10329655 | 10344195 | 10786622 | 11230174 | 16563875 | 21632547 | 21749634 | 21813643 | 22891291 | 25017465 | 7560069 | 9465114 | 9634533"
        ],
        [
         "6",
         "SLM:000000043",
         "Isomeric subspecies",
         "lathosterone",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2",
         "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=FLRPNSKUGCVRRB-QLJXJWEDSA-N",
         "C27H44O",
         "0.0",
         "384.648",
         "384.339216",
         "384.338667",
         "385.346492",
         "423.302374",
         "407.328437",
         "391.354671",
         "402.373042",
         "383.33194",
         "419.308617",
         "443.353069",
         "71550",
         null,
         null,
         "MNXM97065",
         "19531354 | 22505847"
        ],
        [
         "7",
         "SLM:000000044",
         "Isomeric subspecies",
         "(25S)-Delta7-dafachronate",
         null,
         null,
         "SLM:000501306",
         null,
         null,
         "[H][C@@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC[C@H](C)C([O-])=O)[C@@]1(C)CCC(=O)C2",
         "InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/p-1/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1",
         "InChIKey=SQTAVUCHOVVOFD-LXKLROGNSA-M",
         "C27H41O3",
         "-1.0",
         "413.623",
         "414.313395",
         "414.312847",
         "415.320672",
         "453.276553",
         "437.302616",
         "421.328851",
         "432.347221",
         "413.306119",
         "449.282796",
         "473.327248",
         "71542",
         "LMST04030222",
         null,
         "MNXM97175",
         "16529801 | 21749634 | 22170062  | 22505847"
        ],
        [
         "8",
         "SLM:000000047",
         "Isomeric subspecies",
         "13-methyltetradecanoate",
         null,
         "Isopentadecylate",
         "SLM:000389800",
         null,
         null,
         "CC(C)CCCCCCCCCCCC([O-])=O",
         "InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/p-1",
         "InChIKey=ZOCYQVNGROEVLU-UHFFFAOYSA-M",
         "C15H29O2",
         "-1.0",
         "241.3901",
         "242.22458",
         "242.224032",
         "243.231857",
         "281.187739",
         "265.213801",
         "249.240036",
         "260.258406",
         "241.217304",
         "277.193982",
         "301.238433",
         "70826",
         "LMFA01020009",
         null,
         "MNXM58109",
         "15340492 | 18390550 | 20360843"
        ],
        [
         "9",
         "SLM:000000048",
         "Isomeric subspecies",
         "15-methylhexadecanoate",
         null,
         "15-methylpalmitate",
         "SLM:000389800",
         null,
         null,
         "CC(C)CCCCCCCCCCCCCC([O-])=O",
         "InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/p-1",
         "InChIKey=IIUXHTGBZYEGHI-UHFFFAOYSA-M",
         "C17H33O2",
         "-1.0",
         "269.4433",
         "270.25588",
         "270.255332",
         "271.263157",
         "309.219039",
         "293.245101",
         "277.271336",
         "288.289706",
         "269.248604",
         "305.225282",
         "329.269733",
         "70838",
         "LMFA01020012",
         null,
         "MNXM33453",
         "15340492 | 18390550 | 19933331 | 20360843"
        ],
        [
         "10",
         "SLM:000000084",
         "Class",
         "CDP-1,2-diacyl-sn-glycerol",
         "CDP-DAG",
         null,
         "SLM:000508863",
         null,
         null,
         "Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@@H](O)[C@H]2O)c(=O)n1",
         null,
         null,
         "C14H17N3O15P2R2",
         "-2.0",
         "529.2434",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "58332",
         null,
         null,
         null,
         "16547353  | 20485265 | 23623749 | 29253589 | 8557688  | 9407135 | 9462830 | 9880566"
        ],
        [
         "11",
         "SLM:000000101",
         "Class",
         "1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)",
         "PA",
         "1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate) | Phosphatidylglycerophosphate",
         "SLM:000477285",
         null,
         null,
         "O[C@@H](COP([O-])([O-])=O)COP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C8H11O13P2R2",
         "-3.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "60110",
         null,
         null,
         "MNXM871",
         "20485265 | 9880566"
        ],
        [
         "12",
         "SLM:000000102",
         "Class",
         "Cardiolipin",
         "CL",
         null,
         "SLM:000508862",
         null,
         null,
         "OC(COP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)COP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C13H16O17P2R4",
         "-2.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "62237",
         null,
         null,
         null,
         "14573790 | 16547353  | 19244244 | 20485265 | 23150663 | 9462830"
        ],
        [
         "13",
         "SLM:000000119",
         "Isomeric subspecies",
         "sphinganine 1-phosphate",
         null,
         "S1DHP",
         "SLM:000389425",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O",
         "InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/p-1/t17-,18+/m0/s1",
         "InChIKey=YHEDRJPUIRMZMP-ZWKOTPCHSA-M",
         "C18H39NO5P",
         "-1.0",
         "380.4797",
         "381.26441",
         "381.263862",
         "382.271687",
         "420.227569",
         "404.253631",
         "388.279866",
         "399.298236",
         "380.257134",
         "416.233812",
         "440.278263",
         "57939",
         "LMSP01050002",
         "HMDB01383",
         "MNXM487",
         "10751414 | 10802064 | 11018465 | 11923095 | 12411432 | 12815058 | 14570870 | 22633490 | 22784711 | 23180825 | 25345524 | 31916624 | 9334171 | 9353337 | 9464245 | 9677363  | 9726979"
        ],
        [
         "14",
         "SLM:000000139",
         "Isomeric subspecies",
         "(25S)-Delta4-dafachronate",
         null,
         null,
         "SLM:000501306",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C([O-])=O",
         "InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/p-1/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1",
         "InChIKey=PSXQJZDFWDKBIP-LXKLROGNSA-M",
         "C27H41O3",
         "-1.0",
         "413.623",
         "414.313395",
         "414.312847",
         "415.320672",
         "453.276553",
         "437.302616",
         "421.328851",
         "432.347221",
         "413.306119",
         "449.282796",
         "473.327248",
         "71541",
         "LMST04030221",
         null,
         "MNXM100992",
         "20843794 | 24244004"
        ],
        [
         "16",
         "SLM:000000141",
         "Isomeric subspecies",
         "trans-hexadec-2-enal",
         null,
         null,
         "SLM:000508824",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17585",
         null,
         "HMDB60482",
         null,
         "22385963 | 22633490 | 22784711 | 31916624"
        ],
        [
         "17",
         "SLM:000000147",
         "Isomeric subspecies",
         "N-(9Z-octadecenoyl)-ethanolamine",
         "NAE (18:1(9Z))",
         "(9Z-octadecenoyl)-ethanolamide | N-(9Z-octadecenoyl) ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCCCC\\C=C/CCCCCCCC(=O)NCCO",
         "InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",
         "InChIKey=BOWVQLFMWHZBEF-KTKRTIGZSA-N",
         "C20H39NO2",
         "0.0",
         "325.5292",
         "325.29808",
         "325.297531",
         "326.305356",
         "364.261238",
         "348.287301",
         "332.313535",
         "343.331905",
         "324.290803",
         "360.267481",
         "384.311932",
         "71466",
         null,
         "HMDB02088",
         "MNXM107386",
         "14634025 | 16527816 | 17015445 | 17626977 | 17655883 | 18227059 | 21562563 | 25596343 | 27637550"
        ],
        [
         "18",
         "SLM:000000149",
         "Isomeric subspecies",
         "N-hexadecanoyl-ethanolamine",
         "NAE (16:0)",
         "hexadecanoyl-ethanolamide | N-hexadecanoyl ethanolamine",
         "SLM:000000378",
         null,
         null,
         "CCCCCCCCCCCCCCCC(=O)NCCO",
         "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",
         "InChIKey=HXYVTAGFYLMHSO-UHFFFAOYSA-N",
         "C18H37NO2",
         "0.0",
         "299.4919",
         "299.282429",
         "299.281881",
         "300.289706",
         "338.245588",
         "322.271651",
         "306.297885",
         "317.316255",
         "298.275153",
         "334.251831",
         "358.296282",
         "71464",
         null,
         "HMDB02100",
         "MNXM107548",
         "12824167 | 14634025 | 15655246 | 15760304 | 16527816 | 17015445 | 17655883 | 18227059 | 21562563 | 21801852 | 22825852 | 25423491 | 25596343 | 27637550"
        ],
        [
         "33",
         "SLM:000000193",
         "Isomeric subspecies",
         "5alpha-cholest-7-en-3beta-ol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2",
         "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=IZVFFXVYBHFIHY-QLJXJWEDSA-N",
         "C27H46O",
         "0.0",
         "386.664",
         "386.354866",
         "386.354318",
         "387.362143",
         "425.318024",
         "409.344087",
         "393.370322",
         "404.388692",
         "385.34759",
         "421.324267",
         "445.368719",
         "17168",
         "LMST01010089",
         "HMDB01170",
         "MNXM810",
         "10344195 | 10786622 | 12133002 | 21813643 | 22505847 | 8798407 | 9894009"
        ],
        [
         "42",
         "SLM:000000202",
         "Isomeric subspecies",
         "hexadecan-1-ol",
         null,
         null,
         "SLM:000389802",
         null,
         null,
         "CCCCCCCCCCCCCCCCO",
         "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",
         "InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N",
         "C16H34O",
         "0.0",
         "242.4406",
         "242.260966",
         "242.260417",
         "243.268242",
         "281.224124",
         "265.250187",
         "249.276421",
         "260.294791",
         "241.253689",
         "277.230367",
         "301.274819",
         "16125",
         "LMFA05000061",
         "HMDB03424",
         "MNXM725",
         "10692424 | 15070765 | 15220348 | 15262939 | 15671038 | 15834126 | 16106050 | 20071337 | 22633490 | 27274541 | 6833249 | 8399344 | 9553082 | 9989261"
        ],
        [
         "47",
         "SLM:000000239",
         "Class",
         "1,2-diacyl-sn-glycero-3-phosphoethanolamine",
         "PE",
         "Phosphatidylethanolamine",
         "SLM:000055213",
         null,
         null,
         "[NH3+]CCOP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C7H12NO8PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64612",
         null,
         null,
         "MNXM32127",
         "15897609 | 16478722 | 17890783 | 18629440 | 18772128  | 19000777 | 19014349 | 19454763 | 19506037 | 20485265 | 20727985 | 24097981 | 2445736 | 24706822 | 8898203 | 9132017 | 9575223"
        ],
        [
         "48",
         "SLM:000000240",
         "Class",
         "1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)",
         "PG",
         "Phosphatidylglycerol",
         "SLM:000055215",
         null,
         null,
         "OC[C@H](O)COP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C8H12O10PR2",
         "-1.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "64716",
         null,
         null,
         "MNXM101192",
         "16547353  | 18434318 | 19075029  | 20485265 | 9132017 | 9462830"
        ],
        [
         "50",
         "SLM:000000249",
         "Class",
         "Fatty acyl-CoAs",
         null,
         null,
         "SLM:000390054",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O",
         "InChI=none",
         "-",
         "C22H31N7O17P3SR",
         "-4.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "58342",
         null,
         null,
         "MNXM44",
         "10672016 | 11694577 | 12851411 | 15588229 | 17890783 | 18772128 | 19075029  | 19318427 | 19372430"
        ],
        [
         "55",
         "SLM:000000261",
         "Class",
         "1,2-diacyl-sn-glycero-3-phosphocholine",
         "PC",
         "Phosphatidylcholine",
         "SLM:000055211",
         null,
         null,
         "C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C10H18NO8PR2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57643",
         null,
         null,
         "MNXM110",
         "10848624 | 12055623 | 14685263 | 14976195 | 15044461 | 15588229 | 16478722 | 17237796 | 17401110 | 17449912 | 17982138 | 18037386 | 1847919 | 18629440 | 19000777 | 19014349 | 19454763 | 20332109 | 20727985 | 20736081 | 21614002 | 22822086 | 23532839 | 24097981 | 2445736 | 7654206 | 7654777 | 7912658 | 8530346 | 8576189 | 8618862 | 8757862 | 8898203 | 9132017"
        ],
        [
         "56",
         "SLM:000000262",
         "Class",
         "1,2-diacyl-sn-glycerol",
         "1,2-sn-DAG | DAG | DG",
         "Diacylglycerol",
         "SLM:000000423",
         null,
         null,
         "OC[C@@H](COC([*])=O)OC([*])=O",
         "InChI=none",
         null,
         "C5H6O5R2",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "17815",
         null,
         null,
         "MNXM59",
         "10336610 | 10685032 | 10888667 | 10931938 | 11022048 | 12181444 | 14685263 | 14976195 | 15140260 | 15509571 | 15702972 | 15790568 | 15817490 | 15899900 | 15939762 | 16000311 | 1644792 | 16467296 | 16689792 | 17158099 | 17449912 | 17971454 | 17982138 | 18037386 | 18184806 | 18361507 | 18434318 | 1847919 | 19454763 | 19506037 | 20736081 | 20798281 | 21187285 | 22322963 | 23000145 | 7531435 | 7890667 | 8395015 | 8407970 | 8454637 | 8550586 | 8567632 | 8663293 | 8757862 | 9099673 | 9132017 | 9188725 | 9368028 | 9603941 | 9915823"
        ],
        [
         "60",
         "SLM:000000272",
         "Class",
         "Glucosyl ceramide (iso-d17:1(4E))",
         "GlcCer(iso-d17:1(4E))",
         "N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine",
         "SLM:000399707",
         null,
         null,
         "CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC([*])=O",
         "InChI=none",
         null,
         "C24H44NO8R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "70815",
         null,
         null,
         "MNXM97111",
         " | 11443131 | 21325339"
        ],
        [
         "61",
         "SLM:000000274",
         "Isomeric subspecies",
         "Malonyl-CoA",
         null,
         null,
         "SLM:000508836",
         null,
         null,
         "CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC([O-])=O",
         "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/p-5/t12-,17-,18-,19+,23-/m1/s1",
         "LTYOQGRJFJAKNA-DVVLENMVSA-I",
         "C24H33N7O19P3S",
         "-5.0",
         "848.541",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57384",
         null,
         null,
         null,
         "10455107  | 10829069 | 10850979 | 10970790 | 11373295 | 11567032 | 11673457 | 11734209 | 11972048 | 12023885 | 12087109 | 12371743 | 12586704 | 12882974 | 12941968 | 1314802 | 15286723 | 15340492 | 15984864 | 16141203 | 16354663 | 17114269 | 17719544 | 17906635 | 18728184 | 19236960 | 19575253 | 20228221 | 20457939 | 20937905 | 21106902 | 21846720 | 21959040 | 22158834 | 22199362 | 22216341 | 23479632 | 23482565  | 23597093 | 23615910 | 23689133 | 23873268 | 24184513 | 24569140 | 25003994 | 7592873 | 8702485 | 8910376 | 8962082 | 9356448"
        ],
        [
         "71",
         "SLM:000000285",
         "Class",
         "Ceramide (d18:0)",
         "Cer(d18:0)",
         "N-acylsphinganine",
         "SLM:000399814",
         null,
         null,
         "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC([*])=O",
         "InChI=none",
         null,
         "C19H38NO3R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "31488",
         null,
         null,
         "MNXM616",
         "11694577 | 11937514 | 12633877 | 15063729 | 20139604 | 20207939 | 20727985 | 9368039 | 9556590"
        ],
        [
         "72",
         "SLM:000000287",
         "Isomeric subspecies",
         "cholesterol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
         "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=HVYWMOMLDIMFJA-AXQHIUEBSA-N",
         "C27H46O",
         "0.0",
         "386.664",
         "386.354866",
         "386.354318",
         "387.362143",
         "425.318024",
         "409.344087",
         "393.370322",
         "404.388692",
         "385.34759",
         "421.324267",
         "445.368719",
         "16113",
         "LMST01010001",
         "HMDB00067",
         "MNXM103",
         "10329655 | 10377398 | 10802740 | 11013305 | 11015575 | 11067870 | 11230174 | 11294643 | 11514559 | 11519011 | 12077124 | 12145317 | 12591949 | 14636062 | 14640697 | 15314240 | 15550674 | 15716583 | 15746430 | 16563875 | 16702602 | 16867993 | 1718995 | 17408620 | 17552909 | 17630785 | 17651430 | 18403318 | 18495818 | 18772377 | 18782767 | 19563754 | 20332534 | 20625037 | 20674861 | 20843794 | 21257778 | 21411718 | 21525977 | 21576599 | 21602275 | 21632547 | 21636783 | 21671375 | 21749634 | 22178193 | 22891291 | 23337244 | 24211208 | 24576892 | 25637936 | 26724485 | 27509211 | 32433614 | 7560069 | 7892608 | 9020103 | 9162045 | 9465114 | 9633819 | 9634533 | 9660774 | 9756920 | 9852097 | 9857049"
        ],
        [
         "73",
         "SLM:000000288",
         "Isomeric subspecies",
         "cholest-5-en-3-one",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C",
         "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=GGCLNOIGPMGLDB-SEZUBBNRSA-N",
         "C27H44O",
         "0.0",
         "384.648",
         "384.339216",
         "384.338667",
         "385.346492",
         "423.302374",
         "407.328437",
         "391.354671",
         "402.373042",
         "383.33194",
         "419.308617",
         "443.353069",
         "63906",
         "LMST01010248",
         null,
         "MNXM2990",
         "17630785 | 17651430 | 18495818 | 21257778"
        ],
        [
         "74",
         "SLM:000000290",
         "Isomeric subspecies",
         "cholest-4-en-3-one",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C",
         "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",
         "InChIKey=NYOXRYYXRWJDKP-SEZUBBNRSA-N",
         "C27H44O",
         "0.0",
         "384.648",
         "384.339216",
         "384.338667",
         "385.346492",
         "423.302374",
         "407.328437",
         "391.354671",
         "402.373042",
         "383.33194",
         "419.308617",
         "443.353069",
         "16175",
         "LMST01010015",
         "HMDB00921",
         "MNXM973",
         "17630785 | 18495818 | 20843794 | 21255593 | 21257778"
        ],
        [
         "75",
         "SLM:000000294",
         "Isomeric subspecies",
         "N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine",
         "NAE (20:4(5Z,8Z,11Z,14Z))",
         "(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamide | anandamide",
         "SLM:000000378",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(=O)NCCO",
         "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-",
         "InChIKey=LGEQQWMQCRIYKG-DOFZRALJSA-N",
         "C22H37NO2",
         "0.0",
         "347.5347",
         "347.282429",
         "347.281881",
         "348.289706",
         "386.245588",
         "370.271651",
         "354.297885",
         "365.316255",
         "346.275153",
         "382.251831",
         "406.296282",
         "2700",
         null,
         "HMDB04080",
         null,
         "14634025 | 16527816 | 16938887 | 17015445 | 17626977 | 17649977 | 17655883 | 18227059 | 18549450 | 18698000 | 20702771 | 21289075 | 21562563 | 25423491 | 25596343 | 27571266 | 27637550 | 32271712"
        ],
        [
         "76",
         "SLM:000000296",
         "Isomeric subspecies",
         "(5Z,8Z,11Z,14Z)-eicosatetraenoate",
         null,
         "20:4(5Z,8Z,11Z,14Z) | Arachidonate",
         "SLM:000389801",
         null,
         null,
         "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O",
         "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-15-",
         "InChIKey=YZXBAPSDXZZRGB-DOFZRALJSA-M",
         "C20H31O2",
         "-1.0",
         "303.4595",
         "304.24023",
         "304.239682",
         "305.247507",
         "343.203389",
         "327.229451",
         "311.255686",
         "322.274056",
         "303.232954",
         "339.209632",
         "363.254083",
         "32395",
         "LMFA01030001",
         "HMDB01043",
         "MNXM135",
         "10085124 | 10320809 | 10358058 | 10542053 | 10559269 | 10620324 | 10660572 | 10681567 | 10744668 | 10791960 | 10854433 | 10908295 | 10965849 | 11034610 | 11162607 | 11180564 | 11192938 | 11256953 | 11673457 | 11927584 | 12244105 | 12522102 | 12672805 | 12704195 | 14634044 | 14636062 | 14660610 | 14709560 | 15007068 | 15041462 | 15084647 | 15364545 | 15558016 | 15695510 | 15699031 | 15908428 | 16112079 | 16143298 | 16617059 | 16762313 | 16820285 | 16940157 | 17015445 | 17112342 | 17158102 | 17293613 | 17341693 | 17472963 | 17493578 | 17649977 | 18171998 | 18258213 | 18451993 | 18577768 | 18614531 | 19029917 | 19047760 | 19169353 | 1944593 | 19453107 | 19615464 | 19965576 | 20068046 | 20079333 | 20972997 | 21049984 | 21242590 | 21454566 | 21562563 | 21880860 | 22586271 | 22923616 | 22942274 | 22969151 | 22984144 | 23533611 | 23936004 | 24282679 | 24368842 | 24563460 | 24628888 | 24893149 | 24958911 | 25290914 | 25580854 | 26989199 | 27374330 | 28209804 | 30237167 | 31664810 | 32271712 | 7574697 | 7592599 | 7794891 | 7883976 | 7947975 | 8188678 | 8300559 | 8334154 | 8615788 | 8631361 | 8631948 | 9048568 | 9143331 | 9177185 | 9302294 | 9305900 | 9425121 | 9435160 | 9618483 | 9721182 | 9837935 | 9866708"
        ],
        [
         "77",
         "SLM:000000297",
         "Isomeric subspecies",
         "acetyl-CoA",
         null,
         null,
         "SLM:000390052",
         null,
         null,
         "CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/p-4/t13-,16-,17-,18+,22-/m1/s1",
         "InChIKey=ZSLZBFCDCINBPY-ZSJPKINUSA-J",
         "C23H34N7O17P3S",
         "-4.0",
         "805.539",
         "809.125773",
         "809.125225",
         "810.13305",
         "848.088931",
         "832.114994",
         "816.141229",
         "827.159599",
         "808.118497",
         "844.095174",
         "868.139626",
         "57288",
         "LMFA07050029",
         "HMDB01206",
         "MNXM21",
         "10064897 | 10455107  | 10629181 | 10843999 | 10944470 | 11673457 | 11785945 | 12815048 | 15099582 | 1550553 | 16354663 | 16476568 | 16951743 | 17114269 | 17182612 | 17236799 | 17371050 | 18285344 | 19236960 | 19286649 | 19470242 | 20457939 | 22847177 | 22865860 | 23482565  | 23485643 | 23614353 | 23751782 | 23932781 | 24444601 | 25002576 | 25450640 | 25478839 | 25482540 | 29056341 | 7592873 | 7911016 | 7913309 | 7958339 | 8027038 | 8063752 | 8163672 | 8651282 | 8910376 | 8962082 | 9325339 | 9356448"
        ],
        [
         "78",
         "SLM:000000298",
         "Isomeric subspecies",
         "acetoacetyl-CoA",
         null,
         null,
         "SLM:000000726",
         null,
         null,
         "CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1",
         "InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J",
         "C25H36N7O18P3S",
         "-4.0",
         "847.578",
         "851.136338",
         "851.135789",
         "852.143614",
         "890.099496",
         "874.125559",
         "858.151793",
         "869.170163",
         "850.129061",
         "886.105739",
         "910.150191",
         "57286",
         null,
         null,
         "MNXM133",
         "10064897 | 10231530 | 10600649 | 11673457 | 12917011 | 16476568 | 17236799 | 17371050 | 20378648 | 20463021 | 23485643 | 23751782 | 25478839 | 7911016 | 7913309 | 9553139"
        ],
        [
         "79",
         "SLM:000000299",
         null,
         "(S)-3-hydroxy-3-methylglutaryl-CoA",
         null,
         null,
         "SLM:000508836",
         null,
         null,
         "C[C@](O)(CC([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12",
         "InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1",
         "CABVTRNMFUVUDM-VRHQGPGLSA-I",
         "C27H39N7O20P3S",
         "-5.0",
         "906.62",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "43074",
         null,
         null,
         null,
         "11673457 | 21357570 | 22847177 | 22865860 | 23751782 | 7913309 | 8027038"
        ],
        [
         "80",
         "SLM:000000300",
         "Isomeric subspecies",
         "(R)-mevalonate",
         null,
         null,
         "SLM:000501327",
         null,
         null,
         "C[C@@](O)(CCO)CC([O-])=O",
         "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1",
         "KJTLQQUUPVSXIM-ZCFIWIBFSA-M",
         "C6H11O4",
         "-1.0",
         "147.14914",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "36464",
         null,
         "HMDB59629",
         null,
         "21357570 | 9392419"
        ],
        [
         "81",
         "SLM:000000301",
         "Isomeric subspecies",
         "(R)-5-phosphomevalonate",
         null,
         null,
         "SLM:000501327",
         null,
         null,
         "C[C@@](O)(CCOP([O-])([O-])=O)CC([O-])=O",
         "InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/p-3/t6-/m1/s1",
         "OKZYCXHTTZZYSK-ZCFIWIBFSA-K",
         "C6H10O7P",
         "-3.0",
         "225.1132",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "58146",
         null,
         "HMDB01343",
         null,
         "16519518 | 9392419"
        ],
        [
         "82",
         "SLM:000000302",
         "Isomeric subspecies",
         "(R)-5-diphosphomevalonate",
         null,
         null,
         "SLM:000501327",
         null,
         null,
         "C[C@@](O)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O",
         "InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/p-4/t6-/m1/s1",
         "SIGQQUBJQXSAMW-ZCFIWIBFSA-J",
         "C6H10O10P2",
         "-4.0",
         "304.0851",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57557",
         null,
         "HMDB01090",
         null,
         "16519518 | 9392419"
        ],
        [
         "83",
         "SLM:000000303",
         "Isomeric subspecies",
         "isopentenyl diphosphate",
         null,
         null,
         "SLM:000508834",
         null,
         null,
         "CC(=C)CCOP([O-])(=O)OP([O-])([O-])=O",
         "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)/p-3",
         "NUHSROFQTUXZQQ-UHFFFAOYSA-K",
         "C5H9O7P2",
         "-3.0",
         "243.0683",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "128769",
         null,
         "HMDB01347",
         null,
         "10026212 | 11581264 | 12437513 | 15060088 | 16262699 | 16684881 | 17202134 | 25066056 | 2690933 | 8806705 | 9392419"
        ],
        [
         "84",
         "SLM:000000304",
         "Isomeric subspecies",
         "dimethylallyl diphosphate",
         null,
         null,
         "SLM:000508834",
         null,
         null,
         "CC(C)=CCOP([O-])(=O)OP([O-])([O-])=O",
         "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-3",
         "CBIDRCWHNCKSTO-UHFFFAOYSA-K",
         "C5H9O7P2",
         "-3.0",
         "243.0683",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "57623",
         null,
         "HMDB01120",
         null,
         "17202134 | 8806705"
        ],
        [
         "85",
         "SLM:000000305",
         "Isomeric subspecies",
         "geranyl diphosphate",
         null,
         null,
         "SLM:000508829",
         null,
         null,
         "CC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])([O-])=O",
         "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/b10-7+",
         "GVVPGTZRZFNKDS-JXMROGBWSA-K",
         "C10H17O7P2",
         "-3.0",
         "311.1853",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "58057",
         null,
         "HMDB01285",
         null,
         "15060088 | 16684881 | 2690933"
        ],
        [
         "86",
         "SLM:000000307",
         "Isomeric subspecies",
         "(2E,6E)-farnesyl diphosphate",
         null,
         null,
         "SLM:000508830",
         null,
         null,
         "CC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])([O-])=O",
         "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b14-9+,15-11+",
         "VWFJDQUYCIWHTN-YFVJMOTDSA-K",
         "C15H25O7P2",
         "-3.0",
         "379.3023",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "175763",
         null,
         "HMDB00961",
         null,
         "10026212 | 11581264 | 12437513 | 15060088 | 16262699 | 16684881 | 19933331 | 24531458 | 25066056 | 2690933"
        ],
        [
         "88",
         "SLM:000000309",
         "Isomeric subspecies",
         "squalene",
         null,
         null,
         "SLM:000508832",
         null,
         null,
         "CC(C)=CCCC(C)=CCCC(C)=CCCC=C(/C)CCC=C(/C)CCC=C(C)C",
         "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",
         "YYGNTYWPHWGJRM-AAJYLUCBSA-N",
         "C30H50",
         "0.0",
         "410.718",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "15440",
         null,
         null,
         null,
         "10666321 | 11181753 | 24531458"
        ],
        [
         "89",
         "SLM:000000310",
         "Isomeric subspecies",
         "(S)-2,3-epoxysqualene",
         null,
         null,
         "SLM:000508832",
         null,
         null,
         null,
         null,
         null,
         null,
         "0.0",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "15441",
         null,
         null,
         null,
         "10666321 | 11181753 | 14766201 | 7639730"
        ],
        [
         "90",
         "SLM:000000311",
         "Isomeric subspecies",
         "lanosterol",
         null,
         null,
         "SLM:000501264",
         null,
         null,
         "C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3",
         "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",
         "InChIKey=CAHGCLMLTWQZNJ-KJVWZVAPSA-N",
         "C30H50O",
         "0.0",
         "426.729",
         "426.386166",
         "426.385618",
         "427.393443",
         "465.349325",
         "449.375387",
         "433.401622",
         "444.419992",
         "425.37889",
         "461.355568",
         "485.400019",
         "16521",
         "LMST01010017",
         "HMDB01251",
         "MNXM482",
         "10544287 | 10672016 | 11328599 | 14766201 | 20149798 | 21525977 | 22178193 | 7639730"
        ],
        [
         "91",
         "SLM:000000313",
         "Isomeric subspecies",
         "4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol",
         null,
         null,
         "SLM:000501264",
         null,
         null,
         "[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C",
         "InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1",
         "InChIKey=LFQXEZVYNCBVDO-MOSRPKGSSA-N",
         "C29H46O",
         "0.0",
         "410.686",
         "410.354866",
         "410.354318",
         "411.362143",
         "449.318024",
         "433.344087",
         "417.370322",
         "428.388692",
         "409.34759",
         "445.324267",
         "469.368719",
         "17813",
         "LMST01010149",
         "HMDB01023",
         "MNXM1036",
         "10544287 | 11328599 | 11784322 | 12618959 | 20149798 | 9630650"
        ],
        [
         "92",
         "SLM:000000314",
         "Isomeric subspecies",
         "4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol",
         null,
         null,
         "SLM:000501264",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C",
         "InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1",
         "InChIKey=CHGIKSSZNBCNDW-SMXMGSDBSA-N",
         "C29H48O",
         "0.0",
         "412.702",
         "412.370516",
         "412.369968",
         "413.377793",
         "451.333674",
         "435.359737",
         "419.385972",
         "430.404342",
         "411.36324",
         "447.339917",
         "471.384369",
         "18364",
         "LMST01010176",
         null,
         "MNXM913",
         "11784322 | 12618959 | 21285510 | 9630650"
        ],
        [
         "93",
         "SLM:000000315",
         "Isomeric subspecies",
         "4beta-methylzymosterol-4alpha-carboxylate",
         null,
         null,
         "SLM:000501306",
         null,
         null,
         "[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C([O-])=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C",
         "InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1",
         "InChIKey=MYWAIWDQTCHPTH-FFRXSHGDSA-M",
         "C29H45O3",
         "-1.0",
         "441.677",
         "442.344695",
         "442.344147",
         "443.351972",
         "481.307854",
         "465.333916",
         "449.360151",
         "460.378521",
         "441.337419",
         "477.314097",
         "501.358548",
         "64925",
         "LMST01010388",
         null,
         "MNXM37762",
         "14567972 | 21285510 | 9811880"
        ],
        [
         "94",
         "SLM:000000316",
         "Isomeric subspecies",
         "3-dehydro-4-methylzymosterol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CCC(=O)C2C",
         "InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22-,23+,24+,27-,28+/m1/s1",
         "InChIKey=DBPZYKHQDWKORQ-BEMLQNMRSA-N",
         "C28H44O",
         "0.0",
         "396.659",
         "396.339216",
         "396.338667",
         "397.346492",
         "435.302374",
         "419.328437",
         "403.354671",
         "414.373042",
         "395.33194",
         "431.308617",
         "455.353069",
         "50593",
         "LMST01010167",
         null,
         "MNXM1889",
         "14567972 | 20659585 | 9811880"
        ],
        [
         "97",
         "SLM:000000319",
         "Isomeric subspecies",
         "5alpha-cholesta-8,24-dien-3beta-ol",
         null,
         null,
         "SLM:000501263",
         null,
         null,
         "[H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2",
         "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",
         "InChIKey=CGSJXLIKVBJVRY-QLJXJWEDSA-N",
         "C27H44O",
         "0.0",
         "384.648",
         "384.339216",
         "384.338667",
         "385.346492",
         "423.302374",
         "407.328437",
         "391.354671",
         "402.373042",
         "383.33194",
         "419.308617",
         "443.353069",
         "18252",
         "LMST01010066",
         "HMDB06271",
         "MNXM574",
         "10672016 | 11165030 | 11171067 | 12133002 | 12829805 | 26114596 | 8798407 | 9894009"
        ],
        [
         "99",
         "SLM:000000323",
         "Class",
         "Ceramide (t18:0)",
         "Cer(t18:0)",
         "N-acyl-4-hydroxysphinganine | N-acyl-phytosphingosine",
         "SLM:000399814",
         null,
         null,
         "CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC([*])=O",
         null,
         null,
         "C19H38NO4R",
         "0.0",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         "31998",
         null,
         null,
         "MNXM731",
         "11006294 | 11356846 | 11694577 | 11937514 | 15063729 | 20139604 | 20727985 | 9368039 | 9556590"
        ]
       ],
       "shape": {
        "columns": 29,
        "rows": 1318
       }
      },
      "text/html": [
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Name</th>\n",
       "      <th>Abbreviation*</th>\n",
       "      <th>Synonyms*</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>SMILES (pH7.3)</th>\n",
       "      <th>InChI (pH7.3)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>Class</td>\n",
       "      <td>Ceramide (iso-d17:1(4E))</td>\n",
       "      <td>Cer(iso-d17:1(4E))</td>\n",
       "      <td>N-acyl-15-methylhexadecasphing-4-enine</td>\n",
       "      <td>SLM:000399814</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO)NC([*])=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>70846</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM97012</td>\n",
       "      <td>| 11443131 | 14685263 | 18390550 | 21325339 |...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>Class</td>\n",
       "      <td>Sphingomyelin (iso-d17:1(4E))</td>\n",
       "      <td>SM(iso-d17:1(4E))</td>\n",
       "      <td>N-acyl-15-methylhexadecasphing-4-enine-1-phosp...</td>\n",
       "      <td>SLM:000001000</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O...</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>70775</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM97113</td>\n",
       "      <td>14685263 | 21926990 | 9603947</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>SLM:000000035</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>sphinganine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000390097</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO</td>\n",
       "      <td>InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12...</td>\n",
       "      <td>...</td>\n",
       "      <td>308.313535</td>\n",
       "      <td>319.331905</td>\n",
       "      <td>300.290803</td>\n",
       "      <td>336.267481</td>\n",
       "      <td>360.311932</td>\n",
       "      <td>57817</td>\n",
       "      <td>LMSP01020001</td>\n",
       "      <td>HMDB00269</td>\n",
       "      <td>MNXM302</td>\n",
       "      <td>10652340 | 10702247 | 10751414 | 10802064 | 10...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>SLM:000000042</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>cholesta-5,7-dien-3beta-ol</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000501263</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@...</td>\n",
       "      <td>InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-2...</td>\n",
       "      <td>...</td>\n",
       "      <td>391.354671</td>\n",
       "      <td>402.373042</td>\n",
       "      <td>383.331940</td>\n",
       "      <td>419.308617</td>\n",
       "      <td>443.353069</td>\n",
       "      <td>17759</td>\n",
       "      <td>LMST01010069</td>\n",
       "      <td>HMDB00032</td>\n",
       "      <td>MNXM710</td>\n",
       "      <td>10329655 | 10344195 | 10786622 | 11230174 | 16...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>SLM:000000043</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>lathosterone</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000501263</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)C...</td>\n",
       "      <td>InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-2...</td>\n",
       "      <td>...</td>\n",
       "      <td>391.354671</td>\n",
       "      <td>402.373042</td>\n",
       "      <td>383.331940</td>\n",
       "      <td>419.308617</td>\n",
       "      <td>443.353069</td>\n",
       "      <td>71550</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM97065</td>\n",
       "      <td>19531354 | 22505847</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595221</th>\n",
       "      <td>SLM:000598072</td>\n",
       "      <td>NaN</td>\n",
       "      <td>all-trans-retinol--[retinol-binding protein]</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000982</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>[*][C@H](N-*)C(-*)=O</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17336 | 83228</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>20628054 | 28758396</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595222</th>\n",
       "      <td>SLM:000598073</td>\n",
       "      <td>NaN</td>\n",
       "      <td>all-trans-retinyl heptanoate</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000982</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>C1(C)(C)C(\\C=C\\C(=C\\C=C\\C(=C\\COC(CCCCCC)=O)\\C)...</td>\n",
       "      <td>InChI=1S/C27H42O2/c1-7-8-9-10-16-26(28)29-21-1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>138724</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>20628054 | 28758396</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595223</th>\n",
       "      <td>SLM:000598074</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2-heptanoyl-sn-glycero-3-phosphocholine</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000724</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>P(OC[C@@H](CO)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C...</td>\n",
       "      <td>InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)23-14(1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>138266</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>20628054 | 22605381 | 28758396</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595230</th>\n",
       "      <td>SLM:000598083</td>\n",
       "      <td>NaN</td>\n",
       "      <td>12-hydroxy-(9Z)-octadecenoyl-CoA</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000389958 | SLM:000390051</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>S(C(CCCCCCC/C=C\\C[C@@H](CCCCCC)O)=O)CCNC(CCNC(...</td>\n",
       "      <td>InChI=1S/C39H68N7O18P3S/c1-4-5-6-13-16-27(47)1...</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>139559</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>17084870 | 27758859</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>595245</th>\n",
       "      <td>SLM:000598101</td>\n",
       "      <td>NaN</td>\n",
       "      <td>a mannosylinositol-1-phospho-N-(2-hydroxyacyl)...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000835</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[...</td>\n",
       "      <td>InChI=none</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>74994</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>12954640 | 9368028</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>1318 rows × 29 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level  \\\n",
       "0       SLM:000000002                Class   \n",
       "3       SLM:000000007                Class   \n",
       "4       SLM:000000035  Isomeric subspecies   \n",
       "5       SLM:000000042  Isomeric subspecies   \n",
       "6       SLM:000000043  Isomeric subspecies   \n",
       "...               ...                  ...   \n",
       "595221  SLM:000598072                  NaN   \n",
       "595222  SLM:000598073                  NaN   \n",
       "595223  SLM:000598074                  NaN   \n",
       "595230  SLM:000598083                  NaN   \n",
       "595245  SLM:000598101                  NaN   \n",
       "\n",
       "                                                     Name       Abbreviation*  \\\n",
       "0                                Ceramide (iso-d17:1(4E))  Cer(iso-d17:1(4E))   \n",
       "3                           Sphingomyelin (iso-d17:1(4E))   SM(iso-d17:1(4E))   \n",
       "4                                             sphinganine                 NaN   \n",
       "5                              cholesta-5,7-dien-3beta-ol                 NaN   \n",
       "6                                            lathosterone                 NaN   \n",
       "...                                                   ...                 ...   \n",
       "595221       all-trans-retinol--[retinol-binding protein]                 NaN   \n",
       "595222                       all-trans-retinyl heptanoate                 NaN   \n",
       "595223            2-heptanoyl-sn-glycero-3-phosphocholine                 NaN   \n",
       "595230                   12-hydroxy-(9Z)-octadecenoyl-CoA                 NaN   \n",
       "595245  a mannosylinositol-1-phospho-N-(2-hydroxyacyl)...                 NaN   \n",
       "\n",
       "                                                Synonyms*  \\\n",
       "0                  N-acyl-15-methylhexadecasphing-4-enine   \n",
       "3       N-acyl-15-methylhexadecasphing-4-enine-1-phosp...   \n",
       "4                                                     NaN   \n",
       "5                                                     NaN   \n",
       "6                                                     NaN   \n",
       "...                                                   ...   \n",
       "595221                                                NaN   \n",
       "595222                                                NaN   \n",
       "595223                                                NaN   \n",
       "595230                                                NaN   \n",
       "595245                                                NaN   \n",
       "\n",
       "                         Lipid class* Parent Components*  \\\n",
       "0                       SLM:000399814    NaN         NaN   \n",
       "3                       SLM:000001000    NaN         NaN   \n",
       "4                       SLM:000390097    NaN         NaN   \n",
       "5                       SLM:000501263    NaN         NaN   \n",
       "6                       SLM:000501263    NaN         NaN   \n",
       "...                               ...    ...         ...   \n",
       "595221                  SLM:000000982    NaN         NaN   \n",
       "595222                  SLM:000000982    NaN         NaN   \n",
       "595223                  SLM:000000724    NaN         NaN   \n",
       "595230  SLM:000389958 | SLM:000390051    NaN         NaN   \n",
       "595245                  SLM:000000835    NaN         NaN   \n",
       "\n",
       "                                           SMILES (pH7.3)  \\\n",
       "0          CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](CO)NC([*])=O   \n",
       "3       CC(C)CCCCCCCCC\\C=C\\[C@@H](O)[C@H](COP([O-])(=O...   \n",
       "4                CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO   \n",
       "5       [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@...   \n",
       "6       [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)C...   \n",
       "...                                                   ...   \n",
       "595221                               [*][C@H](N-*)C(-*)=O   \n",
       "595222  C1(C)(C)C(\\C=C\\C(=C\\C=C\\C(=C\\COC(CCCCCC)=O)\\C)...   \n",
       "595223  P(OC[C@@H](CO)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C...   \n",
       "595230  S(C(CCCCCCC/C=C\\C[C@@H](CCCCCC)O)=O)CCNC(CCNC(...   \n",
       "595245  OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[...   \n",
       "\n",
       "                                            InChI (pH7.3)  ...  \\\n",
       "0                                              InChI=none  ...   \n",
       "3                                              InChI=none  ...   \n",
       "4       InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12...  ...   \n",
       "5       InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-2...  ...   \n",
       "6       InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-2...  ...   \n",
       "...                                                   ...  ...   \n",
       "595221                                         InChI=none  ...   \n",
       "595222  InChI=1S/C27H42O2/c1-7-8-9-10-16-26(28)29-21-1...  ...   \n",
       "595223  InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)23-14(1...  ...   \n",
       "595230  InChI=1S/C39H68N7O18P3S/c1-4-5-6-13-16-27(47)1...  ...   \n",
       "595245                                         InChI=none  ...   \n",
       "\n",
       "       Exact m/z of [M+Li]+ Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  \\\n",
       "0                       NaN                   NaN                  NaN   \n",
       "3                       NaN                   NaN                  NaN   \n",
       "4                308.313535            319.331905           300.290803   \n",
       "5                391.354671            402.373042           383.331940   \n",
       "6                391.354671            402.373042           383.331940   \n",
       "...                     ...                   ...                  ...   \n",
       "595221                  NaN                   NaN                  NaN   \n",
       "595222                  NaN                   NaN                  NaN   \n",
       "595223                  NaN                   NaN                  NaN   \n",
       "595230                  NaN                   NaN                  NaN   \n",
       "595245                  NaN                   NaN                  NaN   \n",
       "\n",
       "        Exact m/z of [M+Cl]-  Exact m/z of [M+OAc]-           CHEBI  \\\n",
       "0                        NaN                     NaN          70846   \n",
       "3                        NaN                     NaN          70775   \n",
       "4                 336.267481              360.311932          57817   \n",
       "5                 419.308617              443.353069          17759   \n",
       "6                 419.308617              443.353069          71550   \n",
       "...                      ...                     ...            ...   \n",
       "595221                   NaN                     NaN  17336 | 83228   \n",
       "595222                   NaN                     NaN         138724   \n",
       "595223                   NaN                     NaN         138266   \n",
       "595230                   NaN                     NaN         139559   \n",
       "595245                   NaN                     NaN          74994   \n",
       "\n",
       "          LIPID MAPS       HMDB   MetaNetX  \\\n",
       "0                NaN        NaN  MNXM97012   \n",
       "3                NaN        NaN  MNXM97113   \n",
       "4       LMSP01020001  HMDB00269    MNXM302   \n",
       "5       LMST01010069  HMDB00032    MNXM710   \n",
       "6                NaN        NaN  MNXM97065   \n",
       "...              ...        ...        ...   \n",
       "595221           NaN        NaN        NaN   \n",
       "595222           NaN        NaN        NaN   \n",
       "595223           NaN        NaN        NaN   \n",
       "595230           NaN        NaN        NaN   \n",
       "595245           NaN        NaN        NaN   \n",
       "\n",
       "                                                     PMID  \n",
       "0        | 11443131 | 14685263 | 18390550 | 21325339 |...  \n",
       "3                           14685263 | 21926990 | 9603947  \n",
       "4       10652340 | 10702247 | 10751414 | 10802064 | 10...  \n",
       "5       10329655 | 10344195 | 10786622 | 11230174 | 16...  \n",
       "6                                     19531354 | 22505847  \n",
       "...                                                   ...  \n",
       "595221                                20628054 | 28758396  \n",
       "595222                                20628054 | 28758396  \n",
       "595223                     20628054 | 22605381 | 28758396  \n",
       "595230                                17084870 | 27758859  \n",
       "595245                                 12954640 | 9368028  \n",
       "\n",
       "[1318 rows x 29 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "cols_with_split_chars = check_for_split_characters(df_swisslipids, delimiter='|')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Okay wow! So these are all the columns we have found with split characters..."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['Abbreviation*', 'Synonyms*', 'Lipid class*', 'CHEBI', 'PMID']"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cols_with_split_chars"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "We can also check for different types of characters if we know that they will be present. For instance SL uses the `/` character for Components*, but this is also used by another of columns like the lipid names themselves or smiles and inchi."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (/) in Lipid ID\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in Level\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in Lipid class*\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in Parent\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in Components*\n",
      "Found 708725 rows with split characters\n"
     ]
    },
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Lipid class*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Components*",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "LIPID MAPS",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "HMDB",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "MetaNetX",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "PMID",
         "rawType": "object",
         "type": "unknown"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "d8b1e3b3-87af-43c5-873f-879263e369a3",
       "rows": [
        [
         "164",
         "SLM:000000422",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000081844",
         "SLM:000000418 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=OPVZUEPSMJNLOM-QEJMHMKOSA-L",
         "C37H69O8P",
         "-2.0",
         "672.913818",
         "674.488647",
         "674.488098",
         "675.495911",
         "713.451843",
         "697.477905",
         "681.504089",
         "692.522461",
         "673.481384",
         "709.458069",
         "733.502502",
         "64839",
         "LMGP10010032",
         "HMDB07859",
         "MNXM66476",
         "10359651 | 11788596 | 12963729 | 16620771 | 17675291 | 18772128  | 19114731 | 19318427 | 19801371 | 20016004 | 20231281 | 20363836 | 21173190 | 21873652 | 22090344 | 24333445 | 24628888 | 26417903 | 8626588 | 9159104"
        ],
        [
         "229",
         "SLM:000000498",
         "Isomeric subspecies",
         "SLM:000000324",
         "SLM:000105249",
         "SLM:000000296 (sn2) / SLM:000000826 (sn1)",
         "InChIKey=KRTOMQDUKGRFDJ-ZAHDIIMDSA-M",
         "C47H82O13P",
         "-1.0",
         "886.120483",
         "886.557129",
         "886.55658",
         "887.564392",
         "925.520264",
         "909.546326",
         "893.572571",
         "904.590942",
         "885.549866",
         "921.52655",
         "945.570984",
         "133606",
         "LMGP06010010",
         "HMDB09815",
         "MNXM75683",
         "22942276 | 23097495 | 23472195 | 8300559"
        ],
        [
         "269",
         "SLM:000000557",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088147",
         "SLM:000000510 (sn1) / SLM:000000826 (sn2)",
         "InChIKey=PZNPLUBHRSSFHT-RRHRGVEJSA-N",
         "C42H84NO8P",
         "0.0",
         "762.09198",
         "761.593445",
         "761.592896",
         "762.600708",
         "800.556641",
         "784.582703",
         "768.608887",
         "779.627258",
         null,
         "796.562866",
         "820.6073",
         "73000",
         "LMGP01010573",
         "HMDB07970",
         "MNXM69304",
         "18195019 | 19416660 | 22923616 | 27399000"
        ],
        [
         "332",
         "SLM:000000636",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082164",
         "SLM:000000418 (sn1) / SLM:000000510 (sn2)",
         "InChIKey=ZSXHMDPHNCOWSV-QEJMHMKOSA-L",
         "C37H69O8P",
         "-2.0",
         "672.913818",
         "674.488647",
         "674.488098",
         "675.495911",
         "713.451843",
         "697.477905",
         "681.504089",
         "692.522461",
         "673.481384",
         "709.458069",
         "733.502502",
         "74551",
         "LMGP10010964",
         null,
         "MNXM66662",
         "16620771 | 18606822 | 19318427 | 19801371 | 20363836 | 21873652 | 22560221 | 8626588 | 9159104 | 9461603"
        ],
        [
         "333",
         "SLM:000000637",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082168",
         "SLM:000000418 (sn1) / SLM:000000826 (sn2)",
         "InChIKey=XIERONXOJKEALF-PXYGFXEISA-L",
         "C39H73O8P",
         "-2.0",
         "700.96698",
         "702.519958",
         "702.519409",
         "703.527222",
         "741.483093",
         "725.509155",
         "709.5354",
         "720.553772",
         "701.512695",
         "737.48938",
         "761.533813",
         "74552",
         "LMGP10010963",
         null,
         "MNXM66667",
         "16620771 | 18606822 | 19318427 | 19801371 | 21173190 | 21873652 | 9461603"
        ],
        [
         "335",
         "SLM:000000639",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082039",
         "SLM:000000418 (sn2) / SLM:000001095 (sn1)",
         "InChIKey=NSSGSPXMZNTFGQ-QJEXQQAGSA-L",
         "C38H71O8P",
         "-2.0",
         "686.94043",
         "688.504333",
         "688.503784",
         "689.511597",
         "727.467468",
         "711.49353",
         "695.519775",
         "706.538147",
         "687.497009",
         "723.473694",
         "747.518188",
         "74556",
         "LMGP10010894",
         null,
         "MNXM66541",
         "20363836 | 20694142 | 21173190"
        ],
        [
         "337",
         "SLM:000000641",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082104",
         "SLM:000000418 (sn2) / SLM:000000826 (sn1)",
         "InChIKey=HHMKVXGZZUOMHM-XZRWTQCASA-L",
         "C39H73O8P",
         "-2.0",
         "700.96698",
         "702.519958",
         "702.519409",
         "703.527222",
         "741.483093",
         "725.509155",
         "709.5354",
         "720.553772",
         "701.512695",
         "737.48938",
         "761.533813",
         "74560",
         "LMGP10010037",
         null,
         "MNXM66635",
         "17675291 | 19801371 | 20231281 | 20363836 | 21173190 | 24333445 | 25375833 | 26417903 | 8626588 | 9159104"
        ],
        [
         "338",
         "SLM:000000642",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082167",
         "SLM:000000418 (sn1) / SLM:000001095 (sn2)",
         "InChIKey=PWVGZLUPKLWHNU-QJEXQQAGSA-L",
         "C38H71O8P",
         "-2.0",
         "686.94043",
         "688.504333",
         "688.503784",
         "689.511597",
         "727.467468",
         "711.49353",
         "695.519775",
         "706.538147",
         "687.497009",
         "723.473694",
         "747.518188",
         "74558",
         "LMGP10010325",
         null,
         "MNXM66664",
         "20363836 | 21173190 | 21873652"
        ],
        [
         "339",
         "SLM:000000643",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082161",
         "SLM:000000418 (sn1) / SLM:000000825 (sn2)",
         "InChIKey=SOEWBJRWWSGRKM-NTEJXHNLSA-L",
         "C35H65O8P",
         "-2.0",
         "644.860718",
         "646.457336",
         "646.456787",
         "647.464661",
         "685.420532",
         "669.446594",
         "653.472839",
         "664.491211",
         "645.450073",
         "681.426758",
         "705.471191",
         "74579",
         "LMGP10010882",
         null,
         "MNXM66658",
         "19318427 | 20363836 | 21173190 | 21873652 | 9461603"
        ],
        [
         "340",
         "SLM:000000644",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082163",
         "SLM:000000418 (sn1) / SLM:000001199 (sn2)",
         "InChIKey=CTDPEXWSWAIKJE-RZCWWDNZSA-L",
         "C36H67O8P",
         "-2.0",
         "658.887207",
         "660.473022",
         "660.472473",
         "661.480286",
         "699.436157",
         "683.462219",
         "667.488464",
         "678.506836",
         "659.465759",
         "695.442383",
         "719.486877",
         "74578",
         "LMGP10010323",
         null,
         "MNXM66660",
         "20363836 | 21173190 | 21873652"
        ],
        [
         "342",
         "SLM:000000646",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082494",
         "SLM:000000418 (sn2) / SLM:000000829 (sn1)",
         "InChIKey=CHEVROLFHYXCIJ-PIIKPTFNSA-L",
         "C41H77O8P",
         "-2.0",
         "729.020081",
         "730.55127",
         "730.55072",
         "731.558533",
         "769.514404",
         "753.540466",
         "737.566711",
         "748.585083",
         "729.544006",
         "765.52063",
         "789.565125",
         "74584",
         "LMGP10010953",
         null,
         "MNXM66893",
         "21873652"
        ],
        [
         "344",
         "SLM:000000648",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000081649",
         "SLM:000000418 (sn2) / SLM:000000825 (sn1)",
         "InChIKey=IZDWXHIHOWRUTO-NTEJXHNLSA-L",
         "C35H65O8P",
         "-2.0",
         "644.860718",
         "646.457336",
         "646.456787",
         "647.464661",
         "685.420532",
         "669.446594",
         "653.472839",
         "664.491211",
         "645.450073",
         "681.426758",
         "705.471191",
         "74586",
         "LMGP10010019",
         null,
         "MNXM66349",
         "19318427 | 21873652"
        ],
        [
         "347",
         "SLM:000000651",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088148",
         "SLM:000000418 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=WTJKGGKOPKCXLL-VYOBOKEXSA-N",
         "C42H82NO8P",
         "0.0",
         "760.076111",
         "759.57782",
         "759.577271",
         "760.585083",
         "798.540955",
         "782.567017",
         "766.593262",
         "777.611633",
         null,
         "794.54718",
         "818.591675",
         "73001",
         "LMGP01010005",
         "HMDB07972",
         "MNXM7970",
         "10191259 | 10455175 | 10681567 | 10744668 | 10893425 | 11112443 | 11401559 | 11788596 | 14636062 | 14709560 | 16704971 | 16837646 | 17158102 | 17213206 | 17293613 | 17726007 | 18195019 | 18287005 | 18772128 | 19047760 | 19416660 | 19615464 | 19864461 | 21498505 | 29666162 | 29724779 | 8300559 | 9442064 | 9442065"
        ],
        [
         "348",
         "SLM:000000652",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088144",
         "SLM:000000411 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=QIBZFHLFHCIUOT-NPBIGWJUSA-N",
         "C40H78NO8P",
         "0.0",
         "732.02301",
         "731.546509",
         "731.545959",
         "732.553772",
         "770.509644",
         "754.535706",
         "738.561951",
         "749.580322",
         null,
         "766.51593",
         "790.560364",
         "74000",
         "LMGP01010566",
         "HMDB07969",
         "MNXM69299",
         "17726007 | 18772128 | 19416660 | 19864461"
        ],
        [
         "349",
         "SLM:000000653",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000081840",
         "SLM:000000411 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=SCNLPRDASXIFJK-BSAOHMCWSA-L",
         "C35H65O8P",
         "-2.0",
         "644.860718",
         "646.457336",
         "646.456787",
         "647.464661",
         "685.420532",
         "669.446594",
         "653.472839",
         "664.491211",
         "645.450073",
         "681.426758",
         "705.471191",
         "73998",
         "LMGP10010911",
         null,
         "MNXM66470",
         "18772128"
        ],
        [
         "352",
         "SLM:000000657",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088468",
         "SLM:000000418 (sn1) / SLM:000000510 (sn2)",
         "InChIKey=RRVPPYNAZJRZFR-VYOBOKEXSA-N",
         "C42H82NO8P",
         "0.0",
         "760.076111",
         "759.57782",
         "759.577271",
         "760.585083",
         "798.540955",
         "782.567017",
         "766.593262",
         "777.611633",
         null,
         "794.54718",
         "818.591675",
         "74667",
         "LMGP01010884",
         "HMDB08100",
         "MNXM69657",
         "10484737 | 16704971 | 16837646 | 18195019 | 18772128 | 22605381 | 29666162 | 29724779"
        ],
        [
         "354",
         "SLM:000000661",
         "Isomeric subspecies",
         "SLM:000000239",
         "SLM:000094448",
         "SLM:000000411 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=CZOSTDZGCCEZTJ-WMHOIYFHSA-N",
         "C37H72NO8P",
         "0.0",
         "689.943176",
         "689.499573",
         "689.499023",
         "690.506836",
         "728.462708",
         "712.48877",
         "696.515015",
         "707.533386",
         "688.492249",
         "724.468933",
         "748.513428",
         "73999",
         "LMGP02011228",
         "HMDB08924",
         "MNXM71406",
         "18772128 | 19864461"
        ],
        [
         "355",
         "SLM:000000662",
         "Isomeric subspecies",
         "SLM:000000239",
         "SLM:000094452",
         "SLM:000000418 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=FHQVHHIBKUMWTI-OTMQOFQLSA-N",
         "C39H76NO8P",
         "0.0",
         "717.996399",
         "717.530884",
         "717.530334",
         "718.538147",
         "756.494019",
         "740.520081",
         "724.546326",
         "735.564697",
         "716.52356",
         "752.500244",
         "776.544678",
         "73007",
         "LMGP02010009",
         "HMDB08927",
         "MNXM32969",
         "10191259 | 10455175 | 10681567 | 11788596 | 16837646 | 18287005 | 18772128 | 19864461 | 23071296 | 9442064"
        ],
        [
         "356",
         "SLM:000000666",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082174",
         "SLM:000000418 (sn1) / SLM:000000829 (sn2)",
         "InChIKey=BQDYVNRXQDSZSP-PIIKPTFNSA-L",
         "C41H77O8P",
         "-2.0",
         "729.020081",
         "730.55127",
         "730.55072",
         "731.558533",
         "769.514404",
         "753.540466",
         "737.566711",
         "748.585083",
         "729.544006",
         "765.52063",
         "789.565125",
         "74937",
         "LMGP10010960",
         null,
         "MNXM66676",
         "19801371"
        ],
        [
         "357",
         "SLM:000000667",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088138",
         "SLM:000000510 (sn1) / SLM:000000719 (sn2)",
         "InChIKey=OVRJLLUJKRFEBG-UUWRZZSWSA-N",
         "C36H72NO8P",
         "0.0",
         "677.932495",
         "677.499573",
         "677.499023",
         "678.506836",
         "716.462708",
         "700.48877",
         "684.515015",
         "695.533386",
         null,
         "712.468933",
         "736.513428",
         "75018",
         "LMGP01010557",
         null,
         "MNXM69292",
         "16704971 | 18195019 | 18285344"
        ],
        [
         "359",
         "SLM:000000669",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000087818",
         "SLM:000000510 (sn2) / SLM:000000719 (sn1)",
         "InChIKey=QQCURFHAGLMXKE-UUWRZZSWSA-N",
         "C36H72NO8P",
         "0.0",
         "677.932495",
         "677.499573",
         "677.499023",
         "678.506836",
         "716.462708",
         "700.48877",
         "684.515015",
         "695.533386",
         null,
         "712.468933",
         "736.513428",
         "75017",
         "LMGP01010435",
         null,
         "MNXM69063",
         "16704971 | 18195019"
        ],
        [
         "361",
         "SLM:000000671",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088408",
         "SLM:000000418 (sn2) / SLM:000000826 (sn1)",
         "InChIKey=ATHVAWFAEPLPPQ-VRDBWYNSSA-N",
         "C44H86NO8P",
         "0.0",
         "788.129272",
         "787.609131",
         "787.608582",
         "788.616394",
         "826.572266",
         "810.598328",
         "794.624573",
         "805.642944",
         null,
         "822.578491",
         "846.622986",
         "75034",
         "LMGP01012143",
         "HMDB08038",
         "MNXM32526",
         "15908428 | 16837646 | 18287005 | 29666162 | 29724779"
        ],
        [
         "362",
         "SLM:000000672",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000081843",
         "SLM:000000510 (sn1) / SLM:000000826 (sn2)",
         "InChIKey=GASPGIDKILJBMM-PGUFJCEWSA-L",
         "C37H71O8P",
         "-2.0",
         "674.929688",
         "676.504333",
         "676.503784",
         "677.511597",
         "715.467468",
         "699.49353",
         "683.519775",
         "694.538147",
         "675.497009",
         "711.473694",
         "735.518188",
         "72857",
         "LMGP10010908",
         null,
         "MNXM66474",
         "9242711"
        ],
        [
         "363",
         "SLM:000000673",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000081836",
         "SLM:000000510 (sn1) / SLM:000000825 (sn2)",
         "InChIKey=GLOXZZHEZYKXNV-WJOKGBTCSA-L",
         "C33H63O8P",
         "-2.0",
         "618.823425",
         "620.441711",
         "620.441162",
         "621.448975",
         "659.404846",
         "643.430908",
         "627.457153",
         "638.475525",
         "619.434448",
         "655.411133",
         "679.455566",
         "72858",
         "LMGP10010976",
         null,
         "MNXM66466",
         "9242711"
        ],
        [
         "365",
         "SLM:000000675",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082173",
         "SLM:000000418 (sn1) / SLM:000001205 (sn2)",
         "InChIKey=UNOREBDSQVPLRN-CFFKTVTHSA-L",
         "C40H75O8P",
         "-2.0",
         "714.993591",
         "716.535583",
         "716.535034",
         "717.542908",
         "755.498779",
         "739.524841",
         "723.551086",
         "734.569458",
         "715.52832",
         "751.505005",
         "775.549438",
         "75104",
         "LMGP10010330",
         null,
         "MNXM66674",
         "20363836 | 21173190"
        ],
        [
         "367",
         "SLM:000000677",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082169",
         "SLM:000000418 (sn1) / SLM:000001202 (sn2)",
         "InChIKey=WXGVPSHYGAKQHX-YFPMXLMLSA-L",
         "C39H71O8P",
         "-2.0",
         "698.951111",
         "700.504333",
         "700.503784",
         "701.511597",
         "739.467468",
         "723.49353",
         "707.519775",
         "718.538147",
         "699.497009",
         "735.473694",
         "759.518188",
         "75122",
         null,
         "HMDB07864",
         "MNXM66668",
         "21873652"
        ],
        [
         "369",
         "SLM:000000679",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082169",
         "SLM:000000418 (sn1) / SLM:000001201 (sn2)",
         "InChIKey=ZMGRHCLBKXXQTN-KTIVZMCLSA-L",
         "C39H71O8P",
         "-2.0",
         "698.951111",
         "700.504333",
         "700.503784",
         "701.511597",
         "739.467468",
         "723.49353",
         "707.519775",
         "718.538147",
         "699.497009",
         "735.473694",
         "759.518188",
         "75124",
         null,
         null,
         "MNXM146767",
         "21873652"
        ],
        [
         "373",
         "SLM:000000684",
         "Isomeric subspecies",
         "SLM:000000324",
         "SLM:000104979",
         "SLM:000000510 (sn1) / SLM:000000826 (sn2)",
         "InChIKey=NEXFZIYXCPIHEF-BHIZUYRXSA-M",
         "C43H82O13P",
         "-1.0",
         "838.077698",
         "838.557129",
         "838.55658",
         "839.564392",
         "877.520264",
         "861.546326",
         "845.572571",
         "856.590942",
         "837.549866",
         "873.52655",
         "897.570984",
         "72836",
         "LMGP06010878",
         "HMDB09781",
         "MNXM75497",
         "19075029"
        ],
        [
         "374",
         "SLM:000000685",
         "Isomeric subspecies",
         "SLM:000000324",
         "SLM:000104980",
         "SLM:000000418 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=PDLAMJKMOKWLAJ-KTBSNPQYSA-M",
         "C43H80O13P",
         "-1.0",
         "836.061829",
         "836.541504",
         "836.540955",
         "837.548767",
         "875.504639",
         "859.530701",
         "843.556946",
         "854.575317",
         "835.53418",
         "871.510864",
         "895.555359",
         "72837",
         "LMGP06010001",
         "HMDB09783",
         "MNXM75499",
         "19075029 | 25580854"
        ],
        [
         "376",
         "SLM:000000687",
         "Isomeric subspecies",
         "SLM:000000240",
         "SLM:000100755",
         "SLM:000000510 (sn1) / SLM:000000826 (sn2)",
         "InChIKey=KBPVYRBBONZJHF-QPPIDDCLSA-M",
         "C40H78O10P",
         "-1.0",
         "750.015625",
         "750.541077",
         "750.540527",
         "751.54834",
         "789.504272",
         "773.530334",
         "757.556519",
         "768.57489",
         "749.533813",
         "785.510498",
         "809.554932",
         "72839",
         "LMGP04010907",
         "HMDB10572",
         "MNXM73660",
         "15485873 | 19075029"
        ],
        [
         "377",
         "SLM:000000688",
         "Isomeric subspecies",
         "SLM:000000240",
         "SLM:000100756",
         "SLM:000000418 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=PAZGBAOHGQRCBP-HGWHEPCSSA-M",
         "C40H76O10P",
         "-1.0",
         "747.999817",
         "748.525452",
         "748.524902",
         "749.532715",
         "787.488586",
         "771.514648",
         "755.540894",
         "766.559265",
         "747.518188",
         "783.494812",
         "807.539307",
         "72841",
         "LMGP04010987",
         "HMDB10574",
         "MNXM73662",
         "10455175 | 10681567 | 11112443 | 1420353 | 15485873 | 19075029 | 25580854 | 9442064"
        ],
        [
         "379",
         "SLM:000000690",
         "Isomeric subspecies",
         "SLM:000000240",
         "SLM:000101016",
         "SLM:000000418 (sn2) / SLM:000000826 (sn1)",
         "InChIKey=ZEFGRNLJASLRBZ-QIJYXWHJSA-M",
         "C42H80O10P",
         "-1.0",
         "776.052917",
         "776.556763",
         "776.556213",
         "777.564026",
         "815.519897",
         "799.545959",
         "783.572205",
         "794.590576",
         "775.549438",
         "811.526123",
         "835.570618",
         "72845",
         "LMGP04010037",
         "HMDB10604",
         "MNXM73830",
         "18458083 | 19075029 | 29724779"
        ],
        [
         "381",
         "SLM:000000692",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000087948",
         "SLM:000000510 (sn2) / SLM:000000825 (sn1)",
         "InChIKey=RFVFQQWKPSOBED-PSXMRANNSA-N",
         "C38H76NO8P",
         "0.0",
         "705.985718",
         "705.530884",
         "705.530334",
         "706.538147",
         "744.494019",
         "728.520081",
         "712.546326",
         "723.564697",
         null,
         "740.500244",
         "764.544678",
         "75062",
         "LMGP01010481",
         "HMDB07869",
         "MNXM69131",
         "16704971 | 18195019"
        ],
        [
         "384",
         "SLM:000000695",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088181",
         "SLM:000000449 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=XPAXRSJGGFVTFM-RUZDIDTESA-N",
         "C26H52NO8P",
         "0.0",
         "537.666687",
         "537.343079",
         "537.342529",
         "538.350342",
         "576.306213",
         "560.332275",
         "544.358521",
         "555.376892",
         null,
         "572.312439",
         "596.356934",
         "75219",
         "LMGP01010612",
         null,
         "MNXM12588",
         "17182612 | 18285344 | 2040620 | 8016111"
        ],
        [
         "385",
         "SLM:000000696",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088441",
         "SLM:000000449 (sn2) / SLM:000000826 (sn1)",
         "InChIKey=ILLILTKBYHPOIA-HHHXNRCGSA-N",
         "C28H56NO8P",
         "0.0",
         "565.71991",
         "565.374329",
         "565.373779",
         "566.381653",
         "604.337524",
         "588.363586",
         "572.389832",
         "583.408203",
         null,
         "600.34375",
         "624.388184",
         "75220",
         "LMGP01010779",
         null,
         "MNXM69587",
         "17182612 | 21926997"
        ],
        [
         "386",
         "SLM:000000698",
         "Isomeric subspecies",
         "SLM:000000574",
         "SLM:000092146",
         "SLM:000000202 (sn1) / SLM:000000449 (sn2)",
         "InChIKey=HVAUUPRFYPCOCA-AREMUKBSSA-N",
         "C26H54NO7P",
         "0.0",
         "523.683228",
         "523.36377",
         "523.36322",
         "524.371094",
         "562.326965",
         "546.353027",
         "530.379272",
         "541.397644",
         null,
         "558.333191",
         "582.377625",
         "44811",
         "LMGP01020046",
         null,
         "MNXM7624",
         "10085103 | 10542206 | 10893425 | 11560941 | 17182612 | 18285344 | 21926997 | 26757638"
        ],
        [
         "388",
         "SLM:000000700",
         "Isomeric subspecies",
         "SLM:000000574",
         "SLM:000092108",
         "SLM:000000202 (sn1) / SLM:000000510 (sn2)",
         "InChIKey=WOTHHEHCEYHCFE-LDLOPFEMSA-N",
         "C40H82NO7P",
         "0.0",
         "720.055298",
         "719.582886",
         "719.582336",
         "720.590149",
         "758.546021",
         "742.572083",
         "726.598328",
         "737.616699",
         null,
         "754.552307",
         "778.596741",
         "72744",
         "LMGP01020029",
         null,
         "MNXM70796",
         "16704971 | 18285344"
        ],
        [
         "389",
         "SLM:000000702",
         "Isomeric subspecies",
         "SLM:000000574",
         "SLM:000092238",
         "SLM:000000510 (sn2) / SLM:000000583 (sn1)",
         "InChIKey=GTFLTTXDLGEBAI-VQJSHJPSSA-N",
         "C42H86NO7P",
         "0.0",
         "748.108521",
         "747.614197",
         "747.613647",
         "748.62146",
         "786.577332",
         "770.603394",
         "754.629639",
         "765.64801",
         null,
         "782.583618",
         "806.628052",
         "75290",
         "LMGP01020086",
         null,
         "MNXM70860",
         "16704971"
        ],
        [
         "391",
         "SLM:000000704",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088793",
         "SLM:000000510 (sn2) / SLM:000000829 (sn1)",
         "InChIKey=JJSZXCSTFDBBBZ-HUESYALOSA-N",
         "C44H88NO8P",
         "0.0",
         "790.145203",
         "789.624756",
         "789.624207",
         "790.632019",
         "828.587891",
         "812.613953",
         "796.640198",
         "807.658569",
         null,
         "824.594177",
         "848.638611",
         "75294",
         "LMGP01011002",
         "HMDB08265",
         "MNXM69963",
         "16704971"
        ],
        [
         "393",
         "SLM:000000706",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088199",
         "SLM:000000510 (sn1) / SLM:000001196 (sn2)",
         "InChIKey=RBJYEKYJPBLOJX-MUUNZHRXSA-N",
         "C30H60NO8P",
         "0.0",
         "593.773071",
         "593.40564",
         "593.40509",
         "594.412903",
         "632.368835",
         "616.394897",
         "600.421082",
         "611.439453",
         null,
         "628.375061",
         "652.419495",
         "75301",
         "LMGP01010674",
         null,
         "MNXM69357",
         "16704971 | 18285344"
        ],
        [
         "395",
         "SLM:000000708",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088200",
         "SLM:000000510 (sn1) / SLM:000000853 (sn2)",
         "InChIKey=BIKOKUIYZRORTR-SSEXGKCCSA-N",
         "C32H64NO8P",
         "0.0",
         "621.826172",
         "621.436951",
         "621.436401",
         "622.444214",
         "660.400085",
         "644.426147",
         "628.452393",
         "639.470764",
         null,
         "656.406372",
         "680.450806",
         "75302",
         null,
         null,
         "MNXM146808",
         "16704971 | 18285344"
        ],
        [
         "397",
         "SLM:000000710",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088137",
         "SLM:000000510 (sn1) / SLM:000000855 (sn2)",
         "InChIKey=WHXGUMQFAMJVSQ-JGCGQSQUSA-N",
         "C34H68NO8P",
         "0.0",
         "649.879395",
         "649.468262",
         "649.467712",
         "650.475525",
         "688.431396",
         "672.457458",
         "656.483704",
         "667.502075",
         null,
         "684.437683",
         "708.482117",
         "75300",
         null,
         null,
         "MNXM146807",
         "16704971 | 18285344"
        ],
        [
         "398",
         "SLM:000000711",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088140",
         "SLM:000000510 (sn1) / SLM:000000825 (sn2)",
         "InChIKey=UIXXHROAQSBBOV-PSXMRANNSA-N",
         "C38H76NO8P",
         "0.0",
         "705.985718",
         "705.530884",
         "705.530334",
         "706.538147",
         "744.494019",
         "728.520081",
         "712.546326",
         "723.564697",
         null,
         "740.500244",
         "764.544678",
         "75304",
         "LMGP01010560",
         "HMDB07965",
         "MNXM69294",
         "16704971 | 18285344"
        ],
        [
         "467",
         "SLM:000000786",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082234",
         "SLM:000000407 (sn1) / SLM:000000418 (sn2)",
         "InChIKey=FIJDZRJJPLMKEQ-VCAYUJMESA-L",
         "C39H69O8P",
         "-2.0",
         "696.935181",
         "698.488647",
         "698.488098",
         "699.495911",
         "737.451843",
         "721.477905",
         "705.504089",
         "716.522461",
         "697.481384",
         "733.458069",
         "757.502502",
         "74548",
         "LMGP10010348",
         null,
         "MNXM66700",
         "16620771"
        ],
        [
         "469",
         "SLM:000000788",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082299",
         "SLM:000000418 (sn2) / SLM:000001101 (sn1)",
         "InChIKey=LXKCDRKFJMBKAN-DEXHSTLTSA-L",
         "C39H67O8P",
         "-2.0",
         "694.919312",
         "696.473022",
         "696.472473",
         "697.480286",
         "735.436157",
         "719.462219",
         "703.488464",
         "714.506836",
         "695.465759",
         "731.442383",
         "755.486877",
         "74550",
         "LMGP10010873",
         null,
         "MNXM66764",
         "16620771 | 19318427 | 21873652"
        ],
        [
         "470",
         "SLM:000000789",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082170",
         "SLM:000000407 (sn2) / SLM:000000418 (sn1)",
         "InChIKey=MVSJLGUSXDKOAR-PKJIHPHSSA-L",
         "C39H69O8P",
         "-2.0",
         "696.935181",
         "698.488647",
         "698.488098",
         "699.495911",
         "737.451843",
         "721.477905",
         "705.504089",
         "716.522461",
         "697.481384",
         "733.458069",
         "757.502502",
         "74563",
         "LMGP10010961",
         null,
         "MNXM66670",
         "19318427 | 20363836 | 21173190 | 21873652 | 22560221 | 9461603"
        ],
        [
         "472",
         "SLM:000000791",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000082299",
         "SLM:000000418 (sn2) / SLM:000001103 (sn1)",
         "InChIKey=PMILXINPEBVJKS-FCFBPKLPSA-L",
         "C39H67O8P",
         "-2.0",
         "694.919312",
         "696.473022",
         "696.472473",
         "697.480286",
         "735.436157",
         "719.462219",
         "703.488464",
         "714.506836",
         "695.465759",
         "731.442383",
         "755.486877",
         "74582",
         "LMGP10010376",
         null,
         "MNXM66732",
         "19318427 | 21873652"
        ],
        [
         "473",
         "SLM:000000792",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088149",
         "SLM:000000407 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=JLPULHDHAOZNQI-ZTIMHPMXSA-N",
         "C42H80NO8P",
         "0.0",
         "758.060303",
         "757.562134",
         "757.561584",
         "758.569458",
         "796.52533",
         "780.551392",
         "764.577637",
         "775.596008",
         null,
         "792.531555",
         "816.575989",
         "73002",
         "LMGP01010594",
         "HMDB07973",
         "MNXM32948",
         "10455175 | 10681567 | 10744668 | 11595796 | 12055623 | 12522102 | 14636062 | 14709560 | 16704971 | 16837646 | 17082194 | 18195019 | 18287005 | 18614531 | 18772128 | 19416660 | 19864461 | 22923616 | 24620755 | 29724779 | 8509424"
        ],
        [
         "474",
         "SLM:000000793",
         "Isomeric subspecies",
         "SLM:000000261",
         "SLM:000088157",
         "SLM:000000296 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=IIZPXYDJLKNOIY-JXPKJXOSSA-N",
         "C44H80NO8P",
         "0.0",
         "782.081726",
         "781.562134",
         "781.561584",
         "782.569458",
         "820.52533",
         "804.551392",
         "788.577637",
         "799.596008",
         null,
         "816.531555",
         "840.575989",
         "73003",
         "LMGP01010007",
         "HMDB07982",
         "MNXM13925",
         "10085124 | 10358058 | 10744668 | 12522102 | 12672805 | 14636062 | 14709560 | 15908428 | 16617059 | 16837646 | 17158102 | 17293613 | 17472963 | 17923475 | 18195019 | 18287005 | 18614531 | 18772128 | 19000777 | 19047760 | 19615464 | 19864461 | 22923616 | 23359699 | 23533611 | 28442572 | 29724779 | 7794891 | 8300559"
        ],
        [
         "475",
         "SLM:000000794",
         "Isomeric subspecies",
         "SLM:000000329",
         "SLM:000081845",
         "SLM:000000407 (sn2) / SLM:000000510 (sn1)",
         "InChIKey=YQMUIZXKIKXZHD-UMKNCJEQSA-L",
         "C37H67O8P",
         "-2.0",
         "670.897888",
         "672.473022",
         "672.472473",
         "673.480286",
         "711.436157",
         "695.462219",
         "679.488464",
         "690.506836",
         "671.465759",
         "707.442383",
         "731.486877",
         "72860",
         "LMGP10010023",
         "HMDB07860",
         "MNXM66477",
         "14634025 | 16527816 | 18772128 | 19416660 | 20231281 | 24333445"
        ]
       ],
       "shape": {
        "columns": 24,
        "rows": 708725
       }
      },
      "text/html": [
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>Level</th>\n",
       "      <th>Lipid class*</th>\n",
       "      <th>Parent</th>\n",
       "      <th>Components*</th>\n",
       "      <th>InChI key (pH7.3)</th>\n",
       "      <th>Formula (pH7.3)</th>\n",
       "      <th>Charge (pH7.3)</th>\n",
       "      <th>Mass (pH7.3)</th>\n",
       "      <th>Exact Mass (neutral form)</th>\n",
       "      <th>...</th>\n",
       "      <th>Exact m/z of [M+Li]+</th>\n",
       "      <th>Exact m/z of [M+NH4]+</th>\n",
       "      <th>Exact m/z of [M-H]-</th>\n",
       "      <th>Exact m/z of [M+Cl]-</th>\n",
       "      <th>Exact m/z of [M+OAc]-</th>\n",
       "      <th>CHEBI</th>\n",
       "      <th>LIPID MAPS</th>\n",
       "      <th>HMDB</th>\n",
       "      <th>MetaNetX</th>\n",
       "      <th>PMID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>164</th>\n",
       "      <td>SLM:000000422</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000329</td>\n",
       "      <td>SLM:000081844</td>\n",
       "      <td>SLM:000000418 (sn2) / SLM:000000510 (sn1)</td>\n",
       "      <td>InChIKey=OPVZUEPSMJNLOM-QEJMHMKOSA-L</td>\n",
       "      <td>C37H69O8P</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>672.913818</td>\n",
       "      <td>674.488647</td>\n",
       "      <td>...</td>\n",
       "      <td>681.504089</td>\n",
       "      <td>692.522461</td>\n",
       "      <td>673.481384</td>\n",
       "      <td>709.458069</td>\n",
       "      <td>733.502502</td>\n",
       "      <td>64839</td>\n",
       "      <td>LMGP10010032</td>\n",
       "      <td>HMDB07859</td>\n",
       "      <td>MNXM66476</td>\n",
       "      <td>10359651 | 11788596 | 12963729 | 16620771 | 17...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>229</th>\n",
       "      <td>SLM:000000498</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000324</td>\n",
       "      <td>SLM:000105249</td>\n",
       "      <td>SLM:000000296 (sn2) / SLM:000000826 (sn1)</td>\n",
       "      <td>InChIKey=KRTOMQDUKGRFDJ-ZAHDIIMDSA-M</td>\n",
       "      <td>C47H82O13P</td>\n",
       "      <td>-1.0</td>\n",
       "      <td>886.120483</td>\n",
       "      <td>886.557129</td>\n",
       "      <td>...</td>\n",
       "      <td>893.572571</td>\n",
       "      <td>904.590942</td>\n",
       "      <td>885.549866</td>\n",
       "      <td>921.526550</td>\n",
       "      <td>945.570984</td>\n",
       "      <td>133606</td>\n",
       "      <td>LMGP06010010</td>\n",
       "      <td>HMDB09815</td>\n",
       "      <td>MNXM75683</td>\n",
       "      <td>22942276 | 23097495 | 23472195 | 8300559</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>269</th>\n",
       "      <td>SLM:000000557</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000261</td>\n",
       "      <td>SLM:000088147</td>\n",
       "      <td>SLM:000000510 (sn1) / SLM:000000826 (sn2)</td>\n",
       "      <td>InChIKey=PZNPLUBHRSSFHT-RRHRGVEJSA-N</td>\n",
       "      <td>C42H84NO8P</td>\n",
       "      <td>0.0</td>\n",
       "      <td>762.091980</td>\n",
       "      <td>761.593445</td>\n",
       "      <td>...</td>\n",
       "      <td>768.608887</td>\n",
       "      <td>779.627258</td>\n",
       "      <td>NaN</td>\n",
       "      <td>796.562866</td>\n",
       "      <td>820.607300</td>\n",
       "      <td>73000</td>\n",
       "      <td>LMGP01010573</td>\n",
       "      <td>HMDB07970</td>\n",
       "      <td>MNXM69304</td>\n",
       "      <td>18195019 | 19416660 | 22923616 | 27399000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>332</th>\n",
       "      <td>SLM:000000636</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000329</td>\n",
       "      <td>SLM:000082164</td>\n",
       "      <td>SLM:000000418 (sn1) / SLM:000000510 (sn2)</td>\n",
       "      <td>InChIKey=ZSXHMDPHNCOWSV-QEJMHMKOSA-L</td>\n",
       "      <td>C37H69O8P</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>672.913818</td>\n",
       "      <td>674.488647</td>\n",
       "      <td>...</td>\n",
       "      <td>681.504089</td>\n",
       "      <td>692.522461</td>\n",
       "      <td>673.481384</td>\n",
       "      <td>709.458069</td>\n",
       "      <td>733.502502</td>\n",
       "      <td>74551</td>\n",
       "      <td>LMGP10010964</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM66662</td>\n",
       "      <td>16620771 | 18606822 | 19318427 | 19801371 | 20...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>333</th>\n",
       "      <td>SLM:000000637</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000329</td>\n",
       "      <td>SLM:000082168</td>\n",
       "      <td>SLM:000000418 (sn1) / SLM:000000826 (sn2)</td>\n",
       "      <td>InChIKey=XIERONXOJKEALF-PXYGFXEISA-L</td>\n",
       "      <td>C39H73O8P</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>700.966980</td>\n",
       "      <td>702.519958</td>\n",
       "      <td>...</td>\n",
       "      <td>709.535400</td>\n",
       "      <td>720.553772</td>\n",
       "      <td>701.512695</td>\n",
       "      <td>737.489380</td>\n",
       "      <td>761.533813</td>\n",
       "      <td>74552</td>\n",
       "      <td>LMGP10010963</td>\n",
       "      <td>NaN</td>\n",
       "      <td>MNXM66667</td>\n",
       "      <td>16620771 | 18606822 | 19318427 | 19801371 | 21...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745172</th>\n",
       "      <td>SLM:000748034</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000001195 (sn2)</td>\n",
       "      <td>InChIKey=LJSBNBPNSBKZCI-JNOBRDIFSA-L</td>\n",
       "      <td>C33H57N3O15P2</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>799.342142</td>\n",
       "      <td>...</td>\n",
       "      <td>806.357598</td>\n",
       "      <td>817.375968</td>\n",
       "      <td>798.334866</td>\n",
       "      <td>834.311543</td>\n",
       "      <td>858.355995</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745173</th>\n",
       "      <td>SLM:000748035</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000001196 (sn2)</td>\n",
       "      <td>InChIKey=ODNYDZLXLRZPCJ-GPTQCAHZSA-L</td>\n",
       "      <td>C35H61N3O15P2</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>827.373442</td>\n",
       "      <td>...</td>\n",
       "      <td>834.388898</td>\n",
       "      <td>845.407268</td>\n",
       "      <td>826.366166</td>\n",
       "      <td>862.342844</td>\n",
       "      <td>886.387295</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745174</th>\n",
       "      <td>SLM:000748036</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000000853 (sn2)</td>\n",
       "      <td>InChIKey=FJIBTCUXUBRYKG-QOTCTSOZSA-L</td>\n",
       "      <td>C37H65N3O15P2</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>855.404743</td>\n",
       "      <td>...</td>\n",
       "      <td>862.420198</td>\n",
       "      <td>873.438568</td>\n",
       "      <td>854.397466</td>\n",
       "      <td>890.374144</td>\n",
       "      <td>914.418595</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745175</th>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000001197 (sn2)</td>\n",
       "      <td>InChIKey=AIBKQADSQWEVSS-HUKRWTLJSA-L</td>\n",
       "      <td>C42H75N3O15P2</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>925.482993</td>\n",
       "      <td>...</td>\n",
       "      <td>932.498448</td>\n",
       "      <td>943.516818</td>\n",
       "      <td>924.475716</td>\n",
       "      <td>960.452394</td>\n",
       "      <td>984.496846</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116248</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>745176</th>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>Isomeric subspecies</td>\n",
       "      <td>SLM:000000084</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000047 (sn2) / SLM:000000048 (sn1)</td>\n",
       "      <td>InChIKey=PIZFKSVTEGNINS-BQUKFSKHSA-L</td>\n",
       "      <td>C44H79N3O15P2</td>\n",
       "      <td>-2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>953.514293</td>\n",
       "      <td>...</td>\n",
       "      <td>960.529748</td>\n",
       "      <td>971.548118</td>\n",
       "      <td>952.507016</td>\n",
       "      <td>988.483694</td>\n",
       "      <td>1012.528146</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HMDB0116250</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>708725 rows × 24 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "             Lipid ID                Level   Lipid class*         Parent  \\\n",
       "164     SLM:000000422  Isomeric subspecies  SLM:000000329  SLM:000081844   \n",
       "229     SLM:000000498  Isomeric subspecies  SLM:000000324  SLM:000105249   \n",
       "269     SLM:000000557  Isomeric subspecies  SLM:000000261  SLM:000088147   \n",
       "332     SLM:000000636  Isomeric subspecies  SLM:000000329  SLM:000082164   \n",
       "333     SLM:000000637  Isomeric subspecies  SLM:000000329  SLM:000082168   \n",
       "...               ...                  ...            ...            ...   \n",
       "745172  SLM:000748034  Isomeric subspecies  SLM:000000084            NaN   \n",
       "745173  SLM:000748035  Isomeric subspecies  SLM:000000084            NaN   \n",
       "745174  SLM:000748036  Isomeric subspecies  SLM:000000084            NaN   \n",
       "745175  SLM:000748037  Isomeric subspecies  SLM:000000084            NaN   \n",
       "745176  SLM:000748038  Isomeric subspecies  SLM:000000084            NaN   \n",
       "\n",
       "                                      Components*  \\\n",
       "164     SLM:000000418 (sn2) / SLM:000000510 (sn1)   \n",
       "229     SLM:000000296 (sn2) / SLM:000000826 (sn1)   \n",
       "269     SLM:000000510 (sn1) / SLM:000000826 (sn2)   \n",
       "332     SLM:000000418 (sn1) / SLM:000000510 (sn2)   \n",
       "333     SLM:000000418 (sn1) / SLM:000000826 (sn2)   \n",
       "...                                           ...   \n",
       "745172  SLM:000000048 (sn1) / SLM:000001195 (sn2)   \n",
       "745173  SLM:000000048 (sn1) / SLM:000001196 (sn2)   \n",
       "745174  SLM:000000048 (sn1) / SLM:000000853 (sn2)   \n",
       "745175  SLM:000000048 (sn1) / SLM:000001197 (sn2)   \n",
       "745176  SLM:000000047 (sn2) / SLM:000000048 (sn1)   \n",
       "\n",
       "                           InChI key (pH7.3) Formula (pH7.3)  Charge (pH7.3)  \\\n",
       "164     InChIKey=OPVZUEPSMJNLOM-QEJMHMKOSA-L       C37H69O8P            -2.0   \n",
       "229     InChIKey=KRTOMQDUKGRFDJ-ZAHDIIMDSA-M      C47H82O13P            -1.0   \n",
       "269     InChIKey=PZNPLUBHRSSFHT-RRHRGVEJSA-N      C42H84NO8P             0.0   \n",
       "332     InChIKey=ZSXHMDPHNCOWSV-QEJMHMKOSA-L       C37H69O8P            -2.0   \n",
       "333     InChIKey=XIERONXOJKEALF-PXYGFXEISA-L       C39H73O8P            -2.0   \n",
       "...                                      ...             ...             ...   \n",
       "745172  InChIKey=LJSBNBPNSBKZCI-JNOBRDIFSA-L   C33H57N3O15P2            -2.0   \n",
       "745173  InChIKey=ODNYDZLXLRZPCJ-GPTQCAHZSA-L   C35H61N3O15P2            -2.0   \n",
       "745174  InChIKey=FJIBTCUXUBRYKG-QOTCTSOZSA-L   C37H65N3O15P2            -2.0   \n",
       "745175  InChIKey=AIBKQADSQWEVSS-HUKRWTLJSA-L   C42H75N3O15P2            -2.0   \n",
       "745176  InChIKey=PIZFKSVTEGNINS-BQUKFSKHSA-L   C44H79N3O15P2            -2.0   \n",
       "\n",
       "        Mass (pH7.3)  Exact Mass (neutral form)  ...  Exact m/z of [M+Li]+  \\\n",
       "164       672.913818                 674.488647  ...            681.504089   \n",
       "229       886.120483                 886.557129  ...            893.572571   \n",
       "269       762.091980                 761.593445  ...            768.608887   \n",
       "332       672.913818                 674.488647  ...            681.504089   \n",
       "333       700.966980                 702.519958  ...            709.535400   \n",
       "...              ...                        ...  ...                   ...   \n",
       "745172           NaN                 799.342142  ...            806.357598   \n",
       "745173           NaN                 827.373442  ...            834.388898   \n",
       "745174           NaN                 855.404743  ...            862.420198   \n",
       "745175           NaN                 925.482993  ...            932.498448   \n",
       "745176           NaN                 953.514293  ...            960.529748   \n",
       "\n",
       "        Exact m/z of [M+NH4]+  Exact m/z of [M-H]-  Exact m/z of [M+Cl]-  \\\n",
       "164                692.522461           673.481384            709.458069   \n",
       "229                904.590942           885.549866            921.526550   \n",
       "269                779.627258                  NaN            796.562866   \n",
       "332                692.522461           673.481384            709.458069   \n",
       "333                720.553772           701.512695            737.489380   \n",
       "...                       ...                  ...                   ...   \n",
       "745172             817.375968           798.334866            834.311543   \n",
       "745173             845.407268           826.366166            862.342844   \n",
       "745174             873.438568           854.397466            890.374144   \n",
       "745175             943.516818           924.475716            960.452394   \n",
       "745176             971.548118           952.507016            988.483694   \n",
       "\n",
       "        Exact m/z of [M+OAc]-    CHEBI    LIPID MAPS         HMDB   MetaNetX  \\\n",
       "164                 733.502502   64839  LMGP10010032    HMDB07859  MNXM66476   \n",
       "229                 945.570984  133606  LMGP06010010    HMDB09815  MNXM75683   \n",
       "269                 820.607300   73000  LMGP01010573    HMDB07970  MNXM69304   \n",
       "332                 733.502502   74551  LMGP10010964          NaN  MNXM66662   \n",
       "333                 761.533813   74552  LMGP10010963          NaN  MNXM66667   \n",
       "...                        ...     ...           ...          ...        ...   \n",
       "745172              858.355995     NaN           NaN          NaN        NaN   \n",
       "745173              886.387295     NaN           NaN          NaN        NaN   \n",
       "745174              914.418595     NaN           NaN          NaN        NaN   \n",
       "745175              984.496846     NaN           NaN  HMDB0116248        NaN   \n",
       "745176             1012.528146     NaN           NaN  HMDB0116250        NaN   \n",
       "\n",
       "                                                     PMID  \n",
       "164     10359651 | 11788596 | 12963729 | 16620771 | 17...  \n",
       "229              22942276 | 23097495 | 23472195 | 8300559  \n",
       "269             18195019 | 19416660 | 22923616 | 27399000  \n",
       "332     16620771 | 18606822 | 19318427 | 19801371 | 20...  \n",
       "333     16620771 | 18606822 | 19318427 | 19801371 | 21...  \n",
       "...                                                   ...  \n",
       "745172                                                NaN  \n",
       "745173                                                NaN  \n",
       "745174                                                NaN  \n",
       "745175                                                NaN  \n",
       "745176                                                NaN  \n",
       "\n",
       "[708725 rows x 24 columns]"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Checking split characters (/) in InChI key (pH7.3)\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in Formula (pH7.3)\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in Charge (pH7.3)\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Mass (pH7.3)\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact Mass (neutral form)\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M.]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+H]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+K]+ \n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+Na]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+Li]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+NH4]+\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M-H]-\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+Cl]-\n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in Exact m/z of [M+OAc]- \n",
      "Not a string column\n",
      "\n",
      "Checking split characters (/) in CHEBI\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in LIPID MAPS\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in HMDB\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in MetaNetX\n",
      "No rows found\n",
      "\n",
      "Checking split characters (/) in PMID\n",
      "No rows found\n",
      "\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "['Components*']"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "check_for_split_characters(df_swisslipids.drop(columns=['Name','Abbreviation*','Synonyms*','SMILES (pH7.3)','InChI (pH7.3)']), delimiter='/')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "These double entries for the classes will be important to take into account for our class hierarchy, because if we don't many of these Class level entries will become disjointed in the ontology. \n",
    "\n",
    "To help us handle this connection we will split it into two using the `split_and_expand_large` utility function, but we will come back to this a bit later..."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "For now we will also add another column for components, so that later we can have both the actual component with location (e.g. sn) and a parsed version where we just have the SL "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [],
   "source": [
    "df_swisslipids['Components_parsed'] = df_swisslipids['Components*']"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now we can melt to start creating the edges df"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Building the edges df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [],
   "source": [
    "# # Split the 'Lipid class*' column into multiple rows\n",
    "# df_swisslipids_splitexp = split_and_expand_large(\n",
    "#     df_swisslipids, #.assign(from_layer_col='swisslipids')\n",
    "#     split_col='Lipid class*', \n",
    "#     expand_cols=['Lipid ID', 'Level', 'Name', 'Abbreviation*',\n",
    "#                     'CHEBI', 'LIPID MAPS', 'HMDB', 'MetaNetX', 'PMID','Synonyms*','Parent','Components*','Components_parsed'], #'from_layer_col'\n",
    "#     delimiter='|'\n",
    "# )"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
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        {
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         "rawType": "int64",
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         "type": "unknown"
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        [
         "21",
         "SLM:000000180",
         "CHEBI",
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        [
         "22",
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         "71380"
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        [
         "23",
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        [
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        [
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        [
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        ],
        [
         "27",
         "SLM:000000186",
         "CHEBI",
         "70951"
        ],
        [
         "28",
         "SLM:000000187",
         "CHEBI",
         "70911"
        ],
        [
         "29",
         "SLM:000000188",
         "CHEBI",
         "70918"
        ],
        [
         "30",
         "SLM:000000189",
         "CHEBI",
         "70920"
        ],
        [
         "31",
         "SLM:000000190",
         "CHEBI",
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        ],
        [
         "32",
         "SLM:000000191",
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        ],
        [
         "33",
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        ],
        [
         "34",
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        ],
        [
         "35",
         "SLM:000000195",
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        ],
        [
         "36",
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         "CHEBI",
         "70903"
        ],
        [
         "37",
         "SLM:000000197",
         "CHEBI",
         "70910"
        ],
        [
         "38",
         "SLM:000000198",
         "CHEBI",
         "71379"
        ],
        [
         "39",
         "SLM:000000199",
         "CHEBI",
         "70946"
        ],
        [
         "40",
         "SLM:000000200",
         "CHEBI",
         "70939"
        ],
        [
         "41",
         "SLM:000000201",
         "CHEBI",
         "70932"
        ],
        [
         "42",
         "SLM:000000202",
         "CHEBI",
         "16125"
        ],
        [
         "43",
         "SLM:000000209",
         "CHEBI",
         "67108"
        ],
        [
         "44",
         "SLM:000000210",
         "CHEBI",
         "67109"
        ],
        [
         "45",
         "SLM:000000211",
         "CHEBI",
         "71570"
        ],
        [
         "46",
         "SLM:000000212",
         "CHEBI",
         "73534"
        ],
        [
         "47",
         "SLM:000000239",
         "CHEBI",
         "64612"
        ],
        [
         "48",
         "SLM:000000240",
         "CHEBI",
         "64716"
        ],
        [
         "49",
         "SLM:000000247",
         "CHEBI",
         "70828"
        ]
       ],
       "shape": {
        "columns": 3,
        "rows": 8571739
       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
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       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
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       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>melted_column</th>\n",
       "      <th>value</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>70846</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>SLM:000000003</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>70771</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>SLM:000000006</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>70829</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>70775</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>SLM:000000035</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>57817</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571734</th>\n",
       "      <td>SLM:000782324</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571735</th>\n",
       "      <td>SLM:000782325</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571736</th>\n",
       "      <td>SLM:000782326</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571737</th>\n",
       "      <td>SLM:000782327</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571738</th>\n",
       "      <td>SLM:000782328</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>8571739 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "              Lipid ID      melted_column  value\n",
       "0        SLM:000000002              CHEBI  70846\n",
       "1        SLM:000000003              CHEBI  70771\n",
       "2        SLM:000000006              CHEBI  70829\n",
       "3        SLM:000000007              CHEBI  70775\n",
       "4        SLM:000000035              CHEBI  57817\n",
       "...                ...                ...    ...\n",
       "8571734  SLM:000782324  Components_parsed    NaN\n",
       "8571735  SLM:000782325  Components_parsed    NaN\n",
       "8571736  SLM:000782326  Components_parsed    NaN\n",
       "8571737  SLM:000782327  Components_parsed    NaN\n",
       "8571738  SLM:000782328  Components_parsed    NaN\n",
       "\n",
       "[8571739 rows x 3 columns]"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_edges = pd.melt(df_swisslipids,  #df_swisslipids_splitexp\n",
    "                id_vars=['Lipid ID'], \n",
    "                value_vars=['CHEBI','LIPID MAPS','HMDB','MetaNetX','PMID','Lipid class*','Abbreviation*','Synonyms*','Parent','Components*','Components_parsed'], \n",
    "                var_name='melted_column', value_name='value')\n",
    "df_swisslipids_edges"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Because this melt operation also resulted in a large number of null values, which probably mean nothing to us in this case, we will drop instances where the value is null"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
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        {
         "name": "index",
         "rawType": "int64",
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        {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Lipid ID</th>\n",
       "      <th>melted_column</th>\n",
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       "      <td>CHEBI</td>\n",
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       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>SLM:000000006</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>70829</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>CHEBI</td>\n",
       "      <td>70775</td>\n",
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       "    <tr>\n",
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       "      <td>CHEBI</td>\n",
       "      <td>57817</td>\n",
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       "    <tr>\n",
       "      <th>8571494</th>\n",
       "      <td>SLM:000781997</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>SLM:000000856 (n-acyl)</td>\n",
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       "    <tr>\n",
       "      <th>8571495</th>\n",
       "      <td>SLM:000781998</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>SLM:000389154 (n-acyl)</td>\n",
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       "    <tr>\n",
       "      <th>8571496</th>\n",
       "      <td>SLM:000781999</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>SLM:000485643 (n-acyl)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571497</th>\n",
       "      <td>SLM:000782000</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>SLM:000485644 (n-acyl)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571498</th>\n",
       "      <td>SLM:000782001</td>\n",
       "      <td>Components_parsed</td>\n",
       "      <td>SLM:000485645 (n-acyl)</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>4678499 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "              Lipid ID      melted_column                   value\n",
       "0        SLM:000000002              CHEBI                   70846\n",
       "1        SLM:000000003              CHEBI                   70771\n",
       "2        SLM:000000006              CHEBI                   70829\n",
       "3        SLM:000000007              CHEBI                   70775\n",
       "4        SLM:000000035              CHEBI                   57817\n",
       "...                ...                ...                     ...\n",
       "8571494  SLM:000781997  Components_parsed  SLM:000000856 (n-acyl)\n",
       "8571495  SLM:000781998  Components_parsed  SLM:000389154 (n-acyl)\n",
       "8571496  SLM:000781999  Components_parsed  SLM:000485643 (n-acyl)\n",
       "8571497  SLM:000782000  Components_parsed  SLM:000485644 (n-acyl)\n",
       "8571498  SLM:000782001  Components_parsed  SLM:000485645 (n-acyl)\n",
       "\n",
       "[4678499 rows x 3 columns]"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_edges = df_swisslipids_edges.dropna(subset='value')\n",
    "df_swisslipids_edges"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "There are still some things we need to tidy up so that it is in a suitable format for OnionNet"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
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       "      <td>swisslipids</td>\n",
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       "      <td>SLM:000485645 (n-acyl)</td>\n",
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       "  </tbody>\n",
       "</table>\n",
       "<p>4678499 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        source_layer      source_id          target_layer  \\\n",
       "0        swisslipids  SLM:000000002              sl_chebi   \n",
       "1        swisslipids  SLM:000000003              sl_chebi   \n",
       "2        swisslipids  SLM:000000006              sl_chebi   \n",
       "3        swisslipids  SLM:000000007              sl_chebi   \n",
       "4        swisslipids  SLM:000000035              sl_chebi   \n",
       "...              ...            ...                   ...   \n",
       "8571494  swisslipids  SLM:000781997  sl_components_parsed   \n",
       "8571495  swisslipids  SLM:000781998  sl_components_parsed   \n",
       "8571496  swisslipids  SLM:000781999  sl_components_parsed   \n",
       "8571497  swisslipids  SLM:000782000  sl_components_parsed   \n",
       "8571498  swisslipids  SLM:000782001  sl_components_parsed   \n",
       "\n",
       "                      target_id  \n",
       "0                         70846  \n",
       "1                         70771  \n",
       "2                         70829  \n",
       "3                         70775  \n",
       "4                         57817  \n",
       "...                         ...  \n",
       "8571494  SLM:000000856 (n-acyl)  \n",
       "8571495  SLM:000389154 (n-acyl)  \n",
       "8571496  SLM:000485643 (n-acyl)  \n",
       "8571497  SLM:000485644 (n-acyl)  \n",
       "8571498  SLM:000485645 (n-acyl)  \n",
       "\n",
       "[4678499 rows x 4 columns]"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_edges = df_swisslipids_edges.copy()\n",
    "df_swisslipids_edges['source_layer'] = 'swisslipids'\n",
    "df_swisslipids_edges.rename(columns={'Lipid ID':'source_id', 'melted_column':'target_layer', 'value':'target_id'}, inplace=True)\n",
    "df_swisslipids_edges = df_swisslipids_edges[['source_layer','source_id','target_layer','target_id']]\n",
    "df_swisslipids_edges['target_layer'] = df_swisslipids_edges['target_layer'].map(lambda x: 'swisslipids' if x=='Lipid class*' else f\"sl_{str(x).replace(' ','').strip('*').lower()}\")\n",
    "#df_swisslipids_edges['target_layer'] = df_swisslipids_edges['target_layer'].map(lambda x: )\n",
    "df_swisslipids_edges"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "For rows where it is swisslipids to swisslipids, we actually want to correct this from target_layer to source_layer, because currently the target_layer in this case is actually the parent class, and ideally it would be better to have the parent point towards the children, so that way the root node should be the one with multiple outgoing edges and no incoming edges...\n",
    "\n",
    "Be sure to only run this once, otherwise it will switch back again..."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "data": {
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         "39",
         "swisslipids",
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         "sl_chebi",
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        ],
        [
         "40",
         "swisslipids",
         "SLM:000000200",
         "sl_chebi",
         "70939"
        ],
        [
         "41",
         "swisslipids",
         "SLM:000000201",
         "sl_chebi",
         "70932"
        ],
        [
         "42",
         "swisslipids",
         "SLM:000000202",
         "sl_chebi",
         "16125"
        ],
        [
         "43",
         "swisslipids",
         "SLM:000000209",
         "sl_chebi",
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        ],
        [
         "44",
         "swisslipids",
         "SLM:000000210",
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        ],
        [
         "45",
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        ],
        [
         "46",
         "swisslipids",
         "SLM:000000212",
         "sl_chebi",
         "73534"
        ],
        [
         "47",
         "swisslipids",
         "SLM:000000239",
         "sl_chebi",
         "64612"
        ],
        [
         "48",
         "swisslipids",
         "SLM:000000240",
         "sl_chebi",
         "64716"
        ],
        [
         "49",
         "swisslipids",
         "SLM:000000247",
         "sl_chebi",
         "70828"
        ]
       ],
       "shape": {
        "columns": 4,
        "rows": 4678499
       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>source_layer</th>\n",
       "      <th>source_id</th>\n",
       "      <th>target_layer</th>\n",
       "      <th>target_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70846</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000003</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70771</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000006</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70829</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70775</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000035</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>57817</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571494</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000781997</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000856 (n-acyl)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571495</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000781998</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000389154 (n-acyl)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571496</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000781999</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000485643 (n-acyl)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571497</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782000</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000485644 (n-acyl)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8571498</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782001</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000485645 (n-acyl)</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>4678499 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        source_layer      source_id          target_layer  \\\n",
       "0        swisslipids  SLM:000000002              sl_chebi   \n",
       "1        swisslipids  SLM:000000003              sl_chebi   \n",
       "2        swisslipids  SLM:000000006              sl_chebi   \n",
       "3        swisslipids  SLM:000000007              sl_chebi   \n",
       "4        swisslipids  SLM:000000035              sl_chebi   \n",
       "...              ...            ...                   ...   \n",
       "8571494  swisslipids  SLM:000781997  sl_components_parsed   \n",
       "8571495  swisslipids  SLM:000781998  sl_components_parsed   \n",
       "8571496  swisslipids  SLM:000781999  sl_components_parsed   \n",
       "8571497  swisslipids  SLM:000782000  sl_components_parsed   \n",
       "8571498  swisslipids  SLM:000782001  sl_components_parsed   \n",
       "\n",
       "                      target_id  \n",
       "0                         70846  \n",
       "1                         70771  \n",
       "2                         70829  \n",
       "3                         70775  \n",
       "4                         57817  \n",
       "...                         ...  \n",
       "8571494  SLM:000000856 (n-acyl)  \n",
       "8571495  SLM:000389154 (n-acyl)  \n",
       "8571496  SLM:000485643 (n-acyl)  \n",
       "8571497  SLM:000485644 (n-acyl)  \n",
       "8571498  SLM:000485645 (n-acyl)  \n",
       "\n",
       "[4678499 rows x 4 columns]"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Identify rows where both source_layer and target_layer are 'swisslipids'\n",
    "condition = (df_swisslipids_edges[\"source_layer\"] == \"swisslipids\") & (df_swisslipids_edges[\"target_layer\"] == \"swisslipids\")\n",
    "\n",
    "# Swap the columns for rows satisfying the condition\n",
    "df_swisslipids_edges.loc[condition, [\"source_layer\", \"source_id\", \"target_layer\", \"target_id\"]] = df_swisslipids_edges.loc[condition, [\"target_layer\", \"target_id\", \"source_layer\", \"source_id\"]].values\n",
    "\n",
    "# Output the modified DataFrame\n",
    "df_swisslipids_edges"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "target_layer\n",
       "swisslipids             779247\n",
       "sl_abbreviation         776464\n",
       "sl_components           765323\n",
       "sl_components_parsed    765323\n",
       "sl_synonyms             548163\n",
       "sl_metanetx             505003\n",
       "sl_parent               493491\n",
       "sl_hmdb                  26026\n",
       "sl_lipidmaps             12117\n",
       "sl_chebi                  4276\n",
       "sl_pmid                   3066\n",
       "Name: count, dtype: int64"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_edges['target_layer'].value_counts()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now let's return to two items on our todo list:\n",
    "1. splitting values that have multi-identifiers\n",
    "2. trimming/parsing the components col"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
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        },
        {
         "name": "source_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_id",
         "rawType": "object",
         "type": "string"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "67ddd033-3045-47a3-9d70-221c67dc4b23",
       "rows": [
        [
         "465",
         "swisslipids",
         "SLM:000000784",
         "sl_chebi",
         "74546 | 82922"
        ],
        [
         "387185",
         "swisslipids",
         "SLM:000389154",
         "sl_chebi",
         "82731 | CHEBI:82731"
        ],
        [
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         "swisslipids",
         "SLM:000598072",
         "sl_chebi",
         "17336 | 83228"
        ],
        [
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        ],
        [
         "3117029",
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        ],
        [
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         "sl_pmid",
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        ],
        [
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         "15897609 | 16478722 | 17890783 | 18629440 | 18772128  | 19000777 | 19014349 | 19454763 | 19506037 | 20485265 | 20727985 | 24097981 | 2445736 | 24706822 | 8898203 | 9132017 | 9575223"
        ],
        [
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        ],
        [
         "3117046",
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>source_layer</th>\n",
       "      <th>source_id</th>\n",
       "      <th>target_layer</th>\n",
       "      <th>target_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>465</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000784</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>74546 | 82922</td>\n",
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       "      <th>387185</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000389154</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>82731 | CHEBI:82731</td>\n",
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       "      <th>595221</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000598072</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>17336 | 83228</td>\n",
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       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>sl_pmid</td>\n",
       "      <td>| 11443131 | 14685263 | 18390550 | 21325339 |...</td>\n",
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       "    <tr>\n",
       "      <th>3116999</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>sl_pmid</td>\n",
       "      <td>14685263 | 21926990 | 9603947</td>\n",
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       "      <td>swisslipids</td>\n",
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       "      <td>1,2-di-(13-methyltetradecanoyl)-sn-glycero-3-c...</td>\n",
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       "      <th>6199836</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000747955</td>\n",
       "      <td>sl_synonyms</td>\n",
       "      <td>1-(13-methyltetradecanoyl)-2-(15-methylhexadec...</td>\n",
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       "      <th>6199918</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
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       "      <td>1-(15-methylhexadecanoyl)-2-(11-methyldodecano...</td>\n",
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       "      <th>6199919</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
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       "      <td>1-(15-methylhexadecanoyl)-2-(13-methyltetradec...</td>\n",
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       "    <tr>\n",
       "      <th>6199920</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748039</td>\n",
       "      <td>sl_synonyms</td>\n",
       "      <td>1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-cy...</td>\n",
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      ],
      "text/plain": [
       "        source_layer      source_id target_layer  \\\n",
       "465      swisslipids  SLM:000000784     sl_chebi   \n",
       "387185   swisslipids  SLM:000389154     sl_chebi   \n",
       "595221   swisslipids  SLM:000598072     sl_chebi   \n",
       "3116996  swisslipids  SLM:000000002      sl_pmid   \n",
       "3116999  swisslipids  SLM:000000007      sl_pmid   \n",
       "...              ...            ...          ...   \n",
       "6199835  swisslipids  SLM:000747954  sl_synonyms   \n",
       "6199836  swisslipids  SLM:000747955  sl_synonyms   \n",
       "6199918  swisslipids  SLM:000748037  sl_synonyms   \n",
       "6199919  swisslipids  SLM:000748038  sl_synonyms   \n",
       "6199920  swisslipids  SLM:000748039  sl_synonyms   \n",
       "\n",
       "                                                 target_id  \n",
       "465                                          74546 | 82922  \n",
       "387185                                 82731 | CHEBI:82731  \n",
       "595221                                       17336 | 83228  \n",
       "3116996   | 11443131 | 14685263 | 18390550 | 21325339 |...  \n",
       "3116999                      14685263 | 21926990 | 9603947  \n",
       "...                                                    ...  \n",
       "6199835  1,2-di-(13-methyltetradecanoyl)-sn-glycero-3-c...  \n",
       "6199836  1-(13-methyltetradecanoyl)-2-(15-methylhexadec...  \n",
       "6199918  1-(15-methylhexadecanoyl)-2-(11-methyldodecano...  \n",
       "6199919  1-(15-methylhexadecanoyl)-2-(13-methyltetradec...  \n",
       "6199920  1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-cy...  \n",
       "\n",
       "[30942 rows x 4 columns]"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "edges_with_multilinks = df_swisslipids_edges[df_swisslipids_edges['target_id'].str.contains('|', regex=False, na=False)]\n",
    "edges_with_multilinks"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "target_layer\n",
       "sl_synonyms        19853\n",
       "sl_abbreviation     9768\n",
       "sl_pmid             1318\n",
       "sl_chebi               3\n",
       "Name: count, dtype: int64"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "edges_with_multilinks.value_counts('target_layer')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {},
   "outputs": [
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       "      <th>source_layer</th>\n",
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       "      <td>swisslipids</td>\n",
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       "      <td>swisslipids</td>\n",
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       "      <td>sl_chebi</td>\n",
       "      <td>82922</td>\n",
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       "      <td>swisslipids</td>\n",
       "      <td>SLM:000389154</td>\n",
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       "      <td>swisslipids</td>\n",
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       "      <td>swisslipids</td>\n",
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       "      <th>...</th>\n",
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       "      <th>68383</th>\n",
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       "      <td>swisslipids</td>\n",
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       "      <td>1-(15-methylhexadecanoyl)-2-(13-methyltetradec...</td>\n",
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       "    <tr>\n",
       "      <th>68385</th>\n",
       "      <td>swisslipids</td>\n",
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       "      <td>CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))</td>\n",
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       "      <td>swisslipids</td>\n",
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       "    <tr>\n",
       "      <th>68387</th>\n",
       "      <td>swisslipids</td>\n",
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       "      <td>sl_synonyms</td>\n",
       "      <td>CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))</td>\n",
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       "<p>68380 rows × 4 columns</p>\n",
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      ],
      "text/plain": [
       "      source_layer      source_id target_layer  \\\n",
       "0      swisslipids  SLM:000000784     sl_chebi   \n",
       "1      swisslipids  SLM:000000784     sl_chebi   \n",
       "2      swisslipids  SLM:000389154     sl_chebi   \n",
       "3      swisslipids  SLM:000389154     sl_chebi   \n",
       "4      swisslipids  SLM:000598072     sl_chebi   \n",
       "...            ...            ...          ...   \n",
       "68383  swisslipids  SLM:000748037  sl_synonyms   \n",
       "68384  swisslipids  SLM:000748038  sl_synonyms   \n",
       "68385  swisslipids  SLM:000748038  sl_synonyms   \n",
       "68386  swisslipids  SLM:000748039  sl_synonyms   \n",
       "68387  swisslipids  SLM:000748039  sl_synonyms   \n",
       "\n",
       "                                               target_id  \n",
       "0                                                 74546   \n",
       "1                                                  82922  \n",
       "2                                                 82731   \n",
       "3                                            CHEBI:82731  \n",
       "4                                                 17336   \n",
       "...                                                  ...  \n",
       "68383      CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))  \n",
       "68384  1-(15-methylhexadecanoyl)-2-(13-methyltetradec...  \n",
       "68385       CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))  \n",
       "68386  1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-cy...  \n",
       "68387   CDP-DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))  \n",
       "\n",
       "[68380 rows x 4 columns]"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "edges_with_multilinks_split = split_and_expand_large(edges_with_multilinks, \n",
    "                       split_col='target_id', \n",
    "                       expand_cols=['source_layer','source_id','target_layer'],\n",
    "                       delimiter='|').drop_duplicates()\n",
    "edges_with_multilinks_split"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This is good, but we also need to remember the separators in the components column"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [
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       "    </tr>\n",
       "    <tr>\n",
       "      <th>8537663</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748035</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000001196 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8537664</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748036</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000000853 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8537665</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048 (sn1) / SLM:000001197 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8537666</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000047 (sn2) / SLM:000000048 (sn1)</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>1417450 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        source_layer      source_id          target_layer  \\\n",
       "7013405  swisslipids  SLM:000000422         sl_components   \n",
       "7013470  swisslipids  SLM:000000498         sl_components   \n",
       "7013510  swisslipids  SLM:000000557         sl_components   \n",
       "7013573  swisslipids  SLM:000000636         sl_components   \n",
       "7013574  swisslipids  SLM:000000637         sl_components   \n",
       "...              ...            ...                   ...   \n",
       "8537662  swisslipids  SLM:000748034  sl_components_parsed   \n",
       "8537663  swisslipids  SLM:000748035  sl_components_parsed   \n",
       "8537664  swisslipids  SLM:000748036  sl_components_parsed   \n",
       "8537665  swisslipids  SLM:000748037  sl_components_parsed   \n",
       "8537666  swisslipids  SLM:000748038  sl_components_parsed   \n",
       "\n",
       "                                         target_id  \n",
       "7013405  SLM:000000418 (sn2) / SLM:000000510 (sn1)  \n",
       "7013470  SLM:000000296 (sn2) / SLM:000000826 (sn1)  \n",
       "7013510  SLM:000000510 (sn1) / SLM:000000826 (sn2)  \n",
       "7013573  SLM:000000418 (sn1) / SLM:000000510 (sn2)  \n",
       "7013574  SLM:000000418 (sn1) / SLM:000000826 (sn2)  \n",
       "...                                            ...  \n",
       "8537662  SLM:000000048 (sn1) / SLM:000001195 (sn2)  \n",
       "8537663  SLM:000000048 (sn1) / SLM:000001196 (sn2)  \n",
       "8537664  SLM:000000048 (sn1) / SLM:000000853 (sn2)  \n",
       "8537665  SLM:000000048 (sn1) / SLM:000001197 (sn2)  \n",
       "8537666  SLM:000000047 (sn2) / SLM:000000048 (sn1)  \n",
       "\n",
       "[1417450 rows x 4 columns]"
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "edges_with_multilinks2 = df_swisslipids_edges[df_swisslipids_edges['target_id'].str.contains('/', regex=False, na=False) &\n",
    "                     df_swisslipids_edges['target_layer'].str.contains('sl_components', regex=False, na=False)]\n",
    "edges_with_multilinks2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
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        {
         "name": "source_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "source_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_id",
         "rawType": "object",
         "type": "string"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "58fbeb0e-46c6-4b18-a080-062aabd6df34",
       "rows": [
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         "0",
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         " SLM:000000510 (sn1)"
        ],
        [
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         "swisslipids",
         "SLM:000000498",
         "sl_components",
         "SLM:000000296 (sn2) "
        ],
        [
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         " SLM:000000826 (sn1)"
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        [
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        ],
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        ],
        [
         "22",
         "swisslipids",
         "SLM:000000648",
         "sl_components",
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        ],
        [
         "23",
         "swisslipids",
         "SLM:000000648",
         "sl_components",
         " SLM:000000825 (sn1)"
        ],
        [
         "24",
         "swisslipids",
         "SLM:000000651",
         "sl_components",
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        ],
        [
         "25",
         "swisslipids",
         "SLM:000000651",
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         " SLM:000000510 (sn1)"
        ],
        [
         "26",
         "swisslipids",
         "SLM:000000652",
         "sl_components",
         "SLM:000000411 (sn2) "
        ],
        [
         "27",
         "swisslipids",
         "SLM:000000652",
         "sl_components",
         " SLM:000000510 (sn1)"
        ],
        [
         "28",
         "swisslipids",
         "SLM:000000653",
         "sl_components",
         "SLM:000000411 (sn2) "
        ],
        [
         "29",
         "swisslipids",
         "SLM:000000653",
         "sl_components",
         " SLM:000000510 (sn1)"
        ],
        [
         "30",
         "swisslipids",
         "SLM:000000657",
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        ],
        [
         "31",
         "swisslipids",
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         " SLM:000000510 (sn2)"
        ],
        [
         "32",
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        ],
        [
         "33",
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        ],
        [
         "34",
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        ],
        [
         "35",
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        ],
        [
         "36",
         "swisslipids",
         "SLM:000000666",
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        ],
        [
         "37",
         "swisslipids",
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         "sl_components",
         " SLM:000000829 (sn2)"
        ],
        [
         "38",
         "swisslipids",
         "SLM:000000667",
         "sl_components",
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        ],
        [
         "39",
         "swisslipids",
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         " SLM:000000719 (sn2)"
        ],
        [
         "40",
         "swisslipids",
         "SLM:000000669",
         "sl_components",
         "SLM:000000510 (sn2) "
        ],
        [
         "41",
         "swisslipids",
         "SLM:000000669",
         "sl_components",
         " SLM:000000719 (sn1)"
        ],
        [
         "42",
         "swisslipids",
         "SLM:000000671",
         "sl_components",
         "SLM:000000418 (sn2) "
        ],
        [
         "43",
         "swisslipids",
         "SLM:000000671",
         "sl_components",
         " SLM:000000826 (sn1)"
        ],
        [
         "44",
         "swisslipids",
         "SLM:000000672",
         "sl_components",
         "SLM:000000510 (sn1) "
        ],
        [
         "45",
         "swisslipids",
         "SLM:000000672",
         "sl_components",
         " SLM:000000826 (sn2)"
        ],
        [
         "46",
         "swisslipids",
         "SLM:000000673",
         "sl_components",
         "SLM:000000510 (sn1) "
        ],
        [
         "47",
         "swisslipids",
         "SLM:000000673",
         "sl_components",
         " SLM:000000825 (sn2)"
        ],
        [
         "48",
         "swisslipids",
         "SLM:000000675",
         "sl_components",
         "SLM:000000418 (sn1) "
        ],
        [
         "49",
         "swisslipids",
         "SLM:000000675",
         "sl_components",
         " SLM:000001205 (sn2)"
        ]
       ],
       "shape": {
        "columns": 4,
        "rows": 3592492
       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>source_layer</th>\n",
       "      <th>source_id</th>\n",
       "      <th>target_layer</th>\n",
       "      <th>target_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000422</td>\n",
       "      <td>sl_components</td>\n",
       "      <td>SLM:000000418 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000422</td>\n",
       "      <td>sl_components</td>\n",
       "      <td>SLM:000000510 (sn1)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000498</td>\n",
       "      <td>sl_components</td>\n",
       "      <td>SLM:000000296 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000498</td>\n",
       "      <td>sl_components</td>\n",
       "      <td>SLM:000000826 (sn1)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000557</td>\n",
       "      <td>sl_components</td>\n",
       "      <td>SLM:000000510 (sn1)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3592487</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748036</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000853 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3592488</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048 (sn1)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3592489</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000001197 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3592490</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000047 (sn2)</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3592491</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048 (sn1)</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>3592492 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        source_layer      source_id          target_layer  \\\n",
       "0        swisslipids  SLM:000000422         sl_components   \n",
       "1        swisslipids  SLM:000000422         sl_components   \n",
       "2        swisslipids  SLM:000000498         sl_components   \n",
       "3        swisslipids  SLM:000000498         sl_components   \n",
       "4        swisslipids  SLM:000000557         sl_components   \n",
       "...              ...            ...                   ...   \n",
       "3592487  swisslipids  SLM:000748036  sl_components_parsed   \n",
       "3592488  swisslipids  SLM:000748037  sl_components_parsed   \n",
       "3592489  swisslipids  SLM:000748037  sl_components_parsed   \n",
       "3592490  swisslipids  SLM:000748038  sl_components_parsed   \n",
       "3592491  swisslipids  SLM:000748038  sl_components_parsed   \n",
       "\n",
       "                    target_id  \n",
       "0        SLM:000000418 (sn2)   \n",
       "1         SLM:000000510 (sn1)  \n",
       "2        SLM:000000296 (sn2)   \n",
       "3         SLM:000000826 (sn1)  \n",
       "4        SLM:000000510 (sn1)   \n",
       "...                       ...  \n",
       "3592487   SLM:000000853 (sn2)  \n",
       "3592488  SLM:000000048 (sn1)   \n",
       "3592489   SLM:000001197 (sn2)  \n",
       "3592490  SLM:000000047 (sn2)   \n",
       "3592491   SLM:000000048 (sn1)  \n",
       "\n",
       "[3592492 rows x 4 columns]"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "edges_with_multilinks2_split = split_and_expand_large(edges_with_multilinks2, \n",
    "                       split_col='target_id', \n",
    "                       expand_cols=['source_layer','source_id','target_layer'],\n",
    "                       delimiter='/').drop_duplicates()\n",
    "edges_with_multilinks2_split"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now let's also parse the brackets from the parsed components so that these can be linked directly to the other SLMs if needed"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
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        {
         "name": "source_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "source_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_id",
         "rawType": "object",
         "type": "string"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "92057d69-6f55-49de-806d-29c8f29072a2",
       "rows": [
        [
         "0",
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        ],
        [
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         "SLM:000000422",
         "sl_components",
         " SLM:000000510 (sn1)"
        ],
        [
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         "SLM:000000498",
         "sl_components",
         "SLM:000000296 (sn2) "
        ],
        [
         "3",
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         " SLM:000000826 (sn1)"
        ],
        [
         "4",
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         "SLM:000000557",
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        ],
        [
         "5",
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         "SLM:000000557",
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        ],
        [
         "6",
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         "SLM:000000636",
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        ],
        [
         "7",
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        ],
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        ],
        [
         "10",
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        ],
        [
         "11",
         "swisslipids",
         "SLM:000000639",
         "sl_components",
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        ],
        [
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         "SLM:000000641",
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        ],
        [
         "13",
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         "SLM:000000641",
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         " SLM:000000826 (sn1)"
        ],
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         "14",
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         "SLM:000000642",
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         "SLM:000000418 (sn1) "
        ],
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         "15",
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        ],
        [
         "16",
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       "        source_layer      source_id          target_layer  \\\n",
       "0        swisslipids  SLM:000000422         sl_components   \n",
       "1        swisslipids  SLM:000000422         sl_components   \n",
       "2        swisslipids  SLM:000000498         sl_components   \n",
       "3        swisslipids  SLM:000000498         sl_components   \n",
       "4        swisslipids  SLM:000000557         sl_components   \n",
       "...              ...            ...                   ...   \n",
       "3592487  swisslipids  SLM:000748036  sl_components_parsed   \n",
       "3592488  swisslipids  SLM:000748037  sl_components_parsed   \n",
       "3592489  swisslipids  SLM:000748037  sl_components_parsed   \n",
       "3592490  swisslipids  SLM:000748038  sl_components_parsed   \n",
       "3592491  swisslipids  SLM:000748038  sl_components_parsed   \n",
       "\n",
       "                    target_id  \n",
       "0        SLM:000000418 (sn2)   \n",
       "1         SLM:000000510 (sn1)  \n",
       "2        SLM:000000296 (sn2)   \n",
       "3         SLM:000000826 (sn1)  \n",
       "4        SLM:000000510 (sn1)   \n",
       "...                       ...  \n",
       "3592487         SLM:000000853  \n",
       "3592488         SLM:000000048  \n",
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       "3592491         SLM:000000048  \n",
       "\n",
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      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Apply transformation only for rows where target_layer equals 'sl_components_parsed'\n",
    "mask = edges_with_multilinks2_split['target_layer'] == 'sl_components_parsed'\n",
    "edges_with_multilinks2_split.loc[mask, 'target_id'] = edges_with_multilinks2_split.loc[mask, 'target_id'].str.split('(').str[0].str.strip()\n",
    "edges_with_multilinks2_split"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now we need a way to change these original rows where they had multilinks and add back the corrected ones."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [
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       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890976</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000001197</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890977</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000047</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890978</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>6890979 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        source_layer      source_id          target_layer      target_id\n",
       "0        swisslipids  SLM:000000002              sl_chebi          70846\n",
       "1        swisslipids  SLM:000000003              sl_chebi          70771\n",
       "2        swisslipids  SLM:000000006              sl_chebi          70829\n",
       "3        swisslipids  SLM:000000007              sl_chebi          70775\n",
       "4        swisslipids  SLM:000000035              sl_chebi          57817\n",
       "...              ...            ...                   ...            ...\n",
       "6890974  swisslipids  SLM:000748036  sl_components_parsed  SLM:000000853\n",
       "6890975  swisslipids  SLM:000748037  sl_components_parsed  SLM:000000048\n",
       "6890976  swisslipids  SLM:000748037  sl_components_parsed  SLM:000001197\n",
       "6890977  swisslipids  SLM:000748038  sl_components_parsed  SLM:000000047\n",
       "6890978  swisslipids  SLM:000748038  sl_components_parsed  SLM:000000048\n",
       "\n",
       "[6890979 rows x 4 columns]"
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Identify rows with multilinks (either '|' or '/' with the specific target_layer condition)\n",
    "mask_pipe = df_swisslipids_edges['target_id'].str.contains('|', regex=False, na=False)\n",
    "mask_slash = (\n",
    "    df_swisslipids_edges['target_id'].str.contains('/', regex=False, na=False) &\n",
    "    df_swisslipids_edges['target_layer'].str.contains('sl_components', regex=False, na=False)\n",
    ")\n",
    "mask_problem = mask_pipe | mask_slash\n",
    "\n",
    "# Remove these rows from the original df\n",
    "df_clean = df_swisslipids_edges[~mask_problem].copy()\n",
    "\n",
    "# Now, combine the cleaned df with the corrected edges dataframes.\n",
    "# These corrected dataframes are assumed to be: \n",
    "#   - edges_with_multilinks_split\n",
    "#   - edges_with_multilinks2_split\n",
    "df_swisslipids_edges = pd.concat([df_clean, edges_with_multilinks_split, edges_with_multilinks2_split], ignore_index=True)\n",
    "\n",
    "# (Optional) Drop any duplicate rows that might arise\n",
    "df_swisslipids_edges = df_swisslipids_edges.drop_duplicates()\n",
    "\n",
    "# df_final now contains the original \"good\" rows plus the corrected edges.\n",
    "df_swisslipids_edges"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now we will determine whether the edge is within the same layer (intralayer) or between different layers (interlayer)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
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         "name": "source_id",
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         "name": "target_layer",
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         "type": "string"
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         "name": "target_id",
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         "name": "interlayer",
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         "type": "boolean"
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         "10",
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         "sl_chebi",
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        ],
        [
         "19",
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        ],
        [
         "20",
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         "sl_chebi",
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         "True"
        ],
        [
         "21",
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         "sl_chebi",
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         "True"
        ],
        [
         "22",
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         "SLM:000000181",
         "sl_chebi",
         "71380",
         "True"
        ],
        [
         "23",
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         "SLM:000000182",
         "sl_chebi",
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         "True"
        ],
        [
         "24",
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         "SLM:000000183",
         "sl_chebi",
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         "True"
        ],
        [
         "25",
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        [
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         "SLM:000000186",
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        ],
        [
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         "SLM:000000187",
         "sl_chebi",
         "70911",
         "True"
        ],
        [
         "29",
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         "SLM:000000188",
         "sl_chebi",
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         "True"
        ],
        [
         "30",
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         "SLM:000000189",
         "sl_chebi",
         "70920",
         "True"
        ],
        [
         "31",
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         "SLM:000000190",
         "sl_chebi",
         "71384",
         "True"
        ],
        [
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        ],
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        ],
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        ],
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         "True"
        ],
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        ],
        [
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        ],
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        ],
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        ],
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        [
         "43",
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         "SLM:000000209",
         "sl_chebi",
         "67108",
         "True"
        ],
        [
         "44",
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         "SLM:000000210",
         "sl_chebi",
         "67109",
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        ],
        [
         "45",
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         "sl_chebi",
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        ],
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         "46",
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        ],
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         "47",
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         "SLM:000000239",
         "sl_chebi",
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        ],
        [
         "48",
         "swisslipids",
         "SLM:000000240",
         "sl_chebi",
         "64716",
         "True"
        ],
        [
         "49",
         "swisslipids",
         "SLM:000000247",
         "sl_chebi",
         "70828",
         "True"
        ]
       ],
       "shape": {
        "columns": 5,
        "rows": 6890979
       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>source_layer</th>\n",
       "      <th>source_id</th>\n",
       "      <th>target_layer</th>\n",
       "      <th>target_id</th>\n",
       "      <th>interlayer</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000002</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70846</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000003</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70771</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000006</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70829</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000007</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>70775</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000035</td>\n",
       "      <td>sl_chebi</td>\n",
       "      <td>57817</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890974</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748036</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000853</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890975</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890976</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748037</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000001197</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890977</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000047</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6890978</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000748038</td>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048</td>\n",
       "      <td>True</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>6890979 rows × 5 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        source_layer      source_id          target_layer      target_id  \\\n",
       "0        swisslipids  SLM:000000002              sl_chebi          70846   \n",
       "1        swisslipids  SLM:000000003              sl_chebi          70771   \n",
       "2        swisslipids  SLM:000000006              sl_chebi          70829   \n",
       "3        swisslipids  SLM:000000007              sl_chebi          70775   \n",
       "4        swisslipids  SLM:000000035              sl_chebi          57817   \n",
       "...              ...            ...                   ...            ...   \n",
       "6890974  swisslipids  SLM:000748036  sl_components_parsed  SLM:000000853   \n",
       "6890975  swisslipids  SLM:000748037  sl_components_parsed  SLM:000000048   \n",
       "6890976  swisslipids  SLM:000748037  sl_components_parsed  SLM:000001197   \n",
       "6890977  swisslipids  SLM:000748038  sl_components_parsed  SLM:000000047   \n",
       "6890978  swisslipids  SLM:000748038  sl_components_parsed  SLM:000000048   \n",
       "\n",
       "         interlayer  \n",
       "0              True  \n",
       "1              True  \n",
       "2              True  \n",
       "3              True  \n",
       "4              True  \n",
       "...             ...  \n",
       "6890974        True  \n",
       "6890975        True  \n",
       "6890976        True  \n",
       "6890977        True  \n",
       "6890978        True  \n",
       "\n",
       "[6890979 rows x 5 columns]"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "def assess_edge_layertype(df):\n",
    "    interlayer = df['source_layer']!=df['target_layer']\n",
    "    df['interlayer'] = interlayer\n",
    "    return df \n",
    "\n",
    "df_swisslipids_edges = assess_edge_layertype(df_swisslipids_edges)\n",
    "df_swisslipids_edges"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now we will build the node df"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Building the node df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
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        {
         "name": "node_id",
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         "type": "string"
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         "SLM:000000186"
        ],
        [
         "28",
         "swisslipids",
         "SLM:000000187"
        ],
        [
         "29",
         "swisslipids",
         "SLM:000000188"
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        [
         "30",
         "swisslipids",
         "SLM:000000189"
        ],
        [
         "31",
         "swisslipids",
         "SLM:000000190"
        ],
        [
         "32",
         "swisslipids",
         "SLM:000000191"
        ],
        [
         "33",
         "swisslipids",
         "SLM:000000193"
        ],
        [
         "34",
         "swisslipids",
         "SLM:000000194"
        ],
        [
         "35",
         "swisslipids",
         "SLM:000000195"
        ],
        [
         "36",
         "swisslipids",
         "SLM:000000196"
        ],
        [
         "37",
         "swisslipids",
         "SLM:000000197"
        ],
        [
         "38",
         "swisslipids",
         "SLM:000000198"
        ],
        [
         "39",
         "swisslipids",
         "SLM:000000199"
        ],
        [
         "40",
         "swisslipids",
         "SLM:000000200"
        ],
        [
         "41",
         "swisslipids",
         "SLM:000000201"
        ],
        [
         "42",
         "swisslipids",
         "SLM:000000202"
        ],
        [
         "43",
         "swisslipids",
         "SLM:000000209"
        ],
        [
         "44",
         "swisslipids",
         "SLM:000000210"
        ],
        [
         "45",
         "swisslipids",
         "SLM:000000211"
        ],
        [
         "46",
         "swisslipids",
         "SLM:000000212"
        ],
        [
         "47",
         "swisslipids",
         "SLM:000000239"
        ],
        [
         "48",
         "swisslipids",
         "SLM:000000240"
        ],
        [
         "49",
         "swisslipids",
         "SLM:000000247"
        ]
       ],
       "shape": {
        "columns": 2,
        "rows": 13781958
       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>layer</th>\n",
       "      <th>node_id</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000002</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000003</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000006</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000007</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000000035</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781953</th>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000853</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781954</th>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781955</th>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000001197</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781956</th>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000047</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781957</th>\n",
       "      <td>sl_components_parsed</td>\n",
       "      <td>SLM:000000048</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>13781958 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                         layer        node_id\n",
       "0                  swisslipids  SLM:000000002\n",
       "1                  swisslipids  SLM:000000003\n",
       "2                  swisslipids  SLM:000000006\n",
       "3                  swisslipids  SLM:000000007\n",
       "4                  swisslipids  SLM:000000035\n",
       "...                        ...            ...\n",
       "13781953  sl_components_parsed  SLM:000000853\n",
       "13781954  sl_components_parsed  SLM:000000048\n",
       "13781955  sl_components_parsed  SLM:000001197\n",
       "13781956  sl_components_parsed  SLM:000000047\n",
       "13781957  sl_components_parsed  SLM:000000048\n",
       "\n",
       "[13781958 rows x 2 columns]"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_nodes = create_nodedf_from_edgedf(edge_df=df_swisslipids_edges, props=['layer', 'id'], cols=['layer', 'node_id'])\n",
    "df_swisslipids_nodes"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Let's also see how many are duplicates"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "layer        node_id      \n",
       "swisslipids  SLM:000000353    132660\n",
       "             SLM:000000377     98800\n",
       "             SLM:000000102     80218\n",
       "             SLM:000117148     46826\n",
       "             SLM:000000400     38525\n",
       "                               ...  \n",
       "sl_metanetx  MNXM311776            1\n",
       "             MNXM311777            1\n",
       "             MNXM311778            1\n",
       "             MNXM311779            1\n",
       "swisslipids  SLM:000782332         1\n",
       "Name: count, Length: 2783345, dtype: int64"
      ]
     },
     "execution_count": 23,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_nodes.value_counts(dropna=True)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now let's merge the nodes with the information from earlier to create richer node attributes"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
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        {
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         "type": "string"
        },
        {
         "name": "node_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "Level",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "Name",
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        {
         "name": "Abbreviation*",
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        {
         "name": "Synonyms*",
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         "type": "unknown"
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        {
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         "type": "unknown"
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        {
         "name": "Parent",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "Components*",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "SMILES (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "InChI key (pH7.3)",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "LIPID MAPS",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "HMDB",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "MetaNetX",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "PMID",
         "rawType": "object",
         "type": "unknown"
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         "name": "Components_parsed",
         "rawType": "object",
         "type": "unknown"
        },
        {
         "name": "from_layer_col",
         "rawType": "object",
         "type": "unknown"
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       "conversionMethod": "pd.DataFrame",
       "ref": "f736e433-6325-416d-b711-ff7f667c121e",
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        [
         "17",
         "sl_abbreviation",
         " (12R)-HODE",
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
         null,
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        [
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         "sl_abbreviation",
         " (12R)-HpETE",
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       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781953</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782330</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781954</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782331</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781955</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782331</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781956</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782331</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781957</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782332</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>13781958 rows × 33 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                    layer                     node_id Lipid ID Level Name  \\\n",
       "0         sl_abbreviation                 (5S)-HpHEPE      NaN   NaN  NaN   \n",
       "1         sl_abbreviation                     15-KETE      NaN   NaN  NaN   \n",
       "2         sl_abbreviation       (10,11S,12R)-TriHETrE      NaN   NaN  NaN   \n",
       "3         sl_abbreviation   (10R)-H-(11S,12S)-EpETrE       NaN   NaN  NaN   \n",
       "4         sl_abbreviation     (10R)-H-(8S,9S)-EpETrE       NaN   NaN  NaN   \n",
       "...                   ...                         ...      ...   ...  ...   \n",
       "13781953      swisslipids               SLM:000782330      NaN   NaN  NaN   \n",
       "13781954      swisslipids               SLM:000782331      NaN   NaN  NaN   \n",
       "13781955      swisslipids               SLM:000782331      NaN   NaN  NaN   \n",
       "13781956      swisslipids               SLM:000782331      NaN   NaN  NaN   \n",
       "13781957      swisslipids               SLM:000782332      NaN   NaN  NaN   \n",
       "\n",
       "         Abbreviation* Synonyms* Lipid class* Parent Components*  ...  \\\n",
       "0                  NaN       NaN          NaN    NaN         NaN  ...   \n",
       "1                  NaN       NaN          NaN    NaN         NaN  ...   \n",
       "2                  NaN       NaN          NaN    NaN         NaN  ...   \n",
       "3                  NaN       NaN          NaN    NaN         NaN  ...   \n",
       "4                  NaN       NaN          NaN    NaN         NaN  ...   \n",
       "...                ...       ...          ...    ...         ...  ...   \n",
       "13781953           NaN       NaN          NaN    NaN         NaN  ...   \n",
       "13781954           NaN       NaN          NaN    NaN         NaN  ...   \n",
       "13781955           NaN       NaN          NaN    NaN         NaN  ...   \n",
       "13781956           NaN       NaN          NaN    NaN         NaN  ...   \n",
       "13781957           NaN       NaN          NaN    NaN         NaN  ...   \n",
       "\n",
       "         Exact m/z of [M-H]- Exact m/z of [M+Cl]- Exact m/z of [M+OAc]-   \\\n",
       "0                        NaN                  NaN                    NaN   \n",
       "1                        NaN                  NaN                    NaN   \n",
       "2                        NaN                  NaN                    NaN   \n",
       "3                        NaN                  NaN                    NaN   \n",
       "4                        NaN                  NaN                    NaN   \n",
       "...                      ...                  ...                    ...   \n",
       "13781953                 NaN                  NaN                    NaN   \n",
       "13781954                 NaN                  NaN                    NaN   \n",
       "13781955                 NaN                  NaN                    NaN   \n",
       "13781956                 NaN                  NaN                    NaN   \n",
       "13781957                 NaN                  NaN                    NaN   \n",
       "\n",
       "         CHEBI  LIPID MAPS  HMDB  MetaNetX  PMID  Components_parsed  \\\n",
       "0          NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "1          NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "2          NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "3          NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "4          NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "...        ...         ...   ...       ...   ...                ...   \n",
       "13781953   NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "13781954   NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "13781955   NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "13781956   NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "13781957   NaN         NaN   NaN       NaN   NaN                NaN   \n",
       "\n",
       "          from_layer_col  \n",
       "0                    NaN  \n",
       "1                    NaN  \n",
       "2                    NaN  \n",
       "3                    NaN  \n",
       "4                    NaN  \n",
       "...                  ...  \n",
       "13781953             NaN  \n",
       "13781954             NaN  \n",
       "13781955             NaN  \n",
       "13781956             NaN  \n",
       "13781957             NaN  \n",
       "\n",
       "[13781958 rows x 33 columns]"
      ]
     },
     "execution_count": 24,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_nodes = pd.merge(df_swisslipids_nodes, df_swisslipids.assign(from_layer_col='swisslipids'),\n",
    "                                left_on=['layer','node_id'], right_on=['from_layer_col','Lipid ID'],\n",
    "                                how='outer')\n",
    "df_swisslipids_nodes"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This has a lot of duplicates in it, so lets remove them, along with the from_layer_col which means nothing in this case and is just a relic of our join back with the initial df we used to create the edges (which could probably be tidied up)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "layer",
         "rawType": "object",
         "type": "string"
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        {
         "name": "node_id",
         "rawType": "object",
         "type": "string"
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         "name": "Lipid ID",
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         "name": "Components*",
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        {
         "name": "SMILES (pH7.3)",
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        {
         "name": "InChI (pH7.3)",
         "rawType": "object",
         "type": "unknown"
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        {
         "name": "InChI key (pH7.3)",
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        {
         "name": "Formula (pH7.3)",
         "rawType": "object",
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        {
         "name": "Charge (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Mass (pH7.3)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact Mass (neutral form)",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M.]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+H]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+K]+ ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Na]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Li]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+NH4]+",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M-H]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+Cl]-",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "Exact m/z of [M+OAc]- ",
         "rawType": "float64",
         "type": "float"
        },
        {
         "name": "CHEBI",
         "rawType": "object",
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        {
         "name": "LIPID MAPS",
         "rawType": "object",
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        {
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       "conversionMethod": "pd.DataFrame",
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         "sl_abbreviation",
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       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>sl_abbreviation</td>\n",
       "      <td>(10R)-H-(8S,9S)-EpETrE</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781947</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782328</td>\n",
       "      <td>SLM:000782328</td>\n",
       "      <td>NaN</td>\n",
       "      <td>oxidized 2-acylglycerol</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>SLM:000000355</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>167117</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781950</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782329</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781953</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782330</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781954</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782331</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13781957</th>\n",
       "      <td>swisslipids</td>\n",
       "      <td>SLM:000782332</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2783345 rows × 32 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                    layer                     node_id       Lipid ID Level  \\\n",
       "0         sl_abbreviation                 (5S)-HpHEPE            NaN   NaN   \n",
       "1         sl_abbreviation                     15-KETE            NaN   NaN   \n",
       "2         sl_abbreviation       (10,11S,12R)-TriHETrE            NaN   NaN   \n",
       "3         sl_abbreviation   (10R)-H-(11S,12S)-EpETrE             NaN   NaN   \n",
       "4         sl_abbreviation     (10R)-H-(8S,9S)-EpETrE             NaN   NaN   \n",
       "...                   ...                         ...            ...   ...   \n",
       "13781947      swisslipids               SLM:000782328  SLM:000782328   NaN   \n",
       "13781950      swisslipids               SLM:000782329            NaN   NaN   \n",
       "13781953      swisslipids               SLM:000782330            NaN   NaN   \n",
       "13781954      swisslipids               SLM:000782331            NaN   NaN   \n",
       "13781957      swisslipids               SLM:000782332            NaN   NaN   \n",
       "\n",
       "                             Name Abbreviation* Synonyms*   Lipid class*  \\\n",
       "0                             NaN           NaN       NaN            NaN   \n",
       "1                             NaN           NaN       NaN            NaN   \n",
       "2                             NaN           NaN       NaN            NaN   \n",
       "3                             NaN           NaN       NaN            NaN   \n",
       "4                             NaN           NaN       NaN            NaN   \n",
       "...                           ...           ...       ...            ...   \n",
       "13781947  oxidized 2-acylglycerol           NaN       NaN  SLM:000000355   \n",
       "13781950                      NaN           NaN       NaN            NaN   \n",
       "13781953                      NaN           NaN       NaN            NaN   \n",
       "13781954                      NaN           NaN       NaN            NaN   \n",
       "13781957                      NaN           NaN       NaN            NaN   \n",
       "\n",
       "         Parent Components*  ... Exact m/z of [M+NH4]+ Exact m/z of [M-H]-  \\\n",
       "0           NaN         NaN  ...                   NaN                 NaN   \n",
       "1           NaN         NaN  ...                   NaN                 NaN   \n",
       "2           NaN         NaN  ...                   NaN                 NaN   \n",
       "3           NaN         NaN  ...                   NaN                 NaN   \n",
       "4           NaN         NaN  ...                   NaN                 NaN   \n",
       "...         ...         ...  ...                   ...                 ...   \n",
       "13781947    NaN         NaN  ...                   NaN                 NaN   \n",
       "13781950    NaN         NaN  ...                   NaN                 NaN   \n",
       "13781953    NaN         NaN  ...                   NaN                 NaN   \n",
       "13781954    NaN         NaN  ...                   NaN                 NaN   \n",
       "13781957    NaN         NaN  ...                   NaN                 NaN   \n",
       "\n",
       "         Exact m/z of [M+Cl]- Exact m/z of [M+OAc]-    CHEBI  LIPID MAPS  \\\n",
       "0                         NaN                    NaN     NaN         NaN   \n",
       "1                         NaN                    NaN     NaN         NaN   \n",
       "2                         NaN                    NaN     NaN         NaN   \n",
       "3                         NaN                    NaN     NaN         NaN   \n",
       "4                         NaN                    NaN     NaN         NaN   \n",
       "...                       ...                    ...     ...         ...   \n",
       "13781947                  NaN                    NaN  167117         NaN   \n",
       "13781950                  NaN                    NaN     NaN         NaN   \n",
       "13781953                  NaN                    NaN     NaN         NaN   \n",
       "13781954                  NaN                    NaN     NaN         NaN   \n",
       "13781957                  NaN                    NaN     NaN         NaN   \n",
       "\n",
       "          HMDB  MetaNetX  PMID  Components_parsed  \n",
       "0          NaN       NaN   NaN                NaN  \n",
       "1          NaN       NaN   NaN                NaN  \n",
       "2          NaN       NaN   NaN                NaN  \n",
       "3          NaN       NaN   NaN                NaN  \n",
       "4          NaN       NaN   NaN                NaN  \n",
       "...        ...       ...   ...                ...  \n",
       "13781947   NaN       NaN   NaN                NaN  \n",
       "13781950   NaN       NaN   NaN                NaN  \n",
       "13781953   NaN       NaN   NaN                NaN  \n",
       "13781954   NaN       NaN   NaN                NaN  \n",
       "13781957   NaN       NaN   NaN                NaN  \n",
       "\n",
       "[2783345 rows x 32 columns]"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_nodes = df_swisslipids_nodes.drop_duplicates()\n",
    "df_swisslipids_nodes = df_swisslipids_nodes.drop(columns='from_layer_col')\n",
    "df_swisslipids_nodes"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now we have the nodes and edges dfs for swisslipids and understand how we have arrived at them. In reality you don't have to go through this process every time, LipiNet offers a convenient function to do just this if you are interested in this same network setup."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Using the LipiNet `parse_swisslipids` function\n",
    "\n",
    "The LipiNet `parse_swisslipids` function automatically runs through all of the same steps as we have just covered."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "metadata": {},
   "outputs": [],
   "source": [
    "from lipinet.parse_swisslipids import parse_swisslipids_data\n",
    "\n",
    "sl_results = parse_swisslipids_data(verbose=False)\n",
    "df_sl_nodes = sl_results['df_nodes']\n",
    "df_sl_edges = sl_results['df_edges']"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "We can also check to make sure these are equal here for an individual entry"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "layer                        sl_abbreviation\n",
       "node_id                          (5S)-HpHEPE\n",
       "Lipid ID                                 NaN\n",
       "Level                                    NaN\n",
       "Name                                     NaN\n",
       "Abbreviation*                            NaN\n",
       "Synonyms*                                NaN\n",
       "Lipid class*                             NaN\n",
       "Parent                                   NaN\n",
       "Components*                              NaN\n",
       "SMILES (pH7.3)                           NaN\n",
       "InChI (pH7.3)                            NaN\n",
       "InChI key (pH7.3)                        NaN\n",
       "Formula (pH7.3)                          NaN\n",
       "Charge (pH7.3)                           NaN\n",
       "Mass (pH7.3)                             NaN\n",
       "Exact Mass (neutral form)                NaN\n",
       "Exact m/z of [M.]+                       NaN\n",
       "Exact m/z of [M+H]+                      NaN\n",
       "Exact m/z of [M+K]+                      NaN\n",
       "Exact m/z of [M+Na]+                     NaN\n",
       "Exact m/z of [M+Li]+                     NaN\n",
       "Exact m/z of [M+NH4]+                    NaN\n",
       "Exact m/z of [M-H]-                      NaN\n",
       "Exact m/z of [M+Cl]-                     NaN\n",
       "Exact m/z of [M+OAc]-                    NaN\n",
       "CHEBI                                    NaN\n",
       "LIPID MAPS                               NaN\n",
       "HMDB                                     NaN\n",
       "MetaNetX                                 NaN\n",
       "PMID                                     NaN\n",
       "Components_parsed                        NaN\n",
       "Name: 0, dtype: object"
      ]
     },
     "execution_count": 27,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_nodes.iloc[0]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "layer                        sl_abbreviation\n",
       "node_id                          (5S)-HpHEPE\n",
       "Lipid ID                                 NaN\n",
       "Level                                    NaN\n",
       "Name                                     NaN\n",
       "Abbreviation*                            NaN\n",
       "Synonyms*                                NaN\n",
       "Lipid class*                             NaN\n",
       "Parent                                   NaN\n",
       "Components*                              NaN\n",
       "SMILES (pH7.3)                           NaN\n",
       "InChI (pH7.3)                            NaN\n",
       "InChI key (pH7.3)                        NaN\n",
       "Formula (pH7.3)                          NaN\n",
       "Charge (pH7.3)                           NaN\n",
       "Mass (pH7.3)                             NaN\n",
       "Exact Mass (neutral form)                NaN\n",
       "Exact m/z of [M.]+                       NaN\n",
       "Exact m/z of [M+H]+                      NaN\n",
       "Exact m/z of [M+K]+                      NaN\n",
       "Exact m/z of [M+Na]+                     NaN\n",
       "Exact m/z of [M+Li]+                     NaN\n",
       "Exact m/z of [M+NH4]+                    NaN\n",
       "Exact m/z of [M-H]-                      NaN\n",
       "Exact m/z of [M+Cl]-                     NaN\n",
       "Exact m/z of [M+OAc]-                    NaN\n",
       "CHEBI                                    NaN\n",
       "LIPID MAPS                               NaN\n",
       "HMDB                                     NaN\n",
       "MetaNetX                                 NaN\n",
       "PMID                                     NaN\n",
       "Components_parsed                        NaN\n",
       "Name: 0, dtype: object"
      ]
     },
     "execution_count": 28,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_sl_nodes.iloc[0]"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "For the first entry it looks good, what about for the entire df? We can use the `pd.testing.assert_frame_equal` function to do this. \n",
    "\n",
    "First we will use a null test to test equality between `df_swisslipids_nodes` and `df_swisslipids_edges`, which should obviously be `False`."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DataFrame are different\n",
      "\n",
      "DataFrame shape mismatch\n",
      "[left]:  (2783345, 32)\n",
      "[right]: (6890979, 5)\n"
     ]
    }
   ],
   "source": [
    "try:\n",
    "    pd.testing.assert_frame_equal(df_swisslipids_nodes, df_swisslipids_edges)\n",
    "    print('DataFrames are equal')\n",
    "except AssertionError as e:\n",
    "    print(e)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now let's test between `df_swisslipids_nodes` and `df_sl_nodes`, which should hopefully be `True` and not throw an error. We will also test the edges df while we're at it too."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DataFrames for nodes are equal\n"
     ]
    }
   ],
   "source": [
    "try:\n",
    "    pd.testing.assert_frame_equal(df_swisslipids_nodes, df_sl_nodes)\n",
    "    print('DataFrames for nodes are equal')\n",
    "except AssertionError as e:\n",
    "    print(e)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DataFrames for edges are equal\n"
     ]
    }
   ],
   "source": [
    "try:\n",
    "    pd.testing.assert_frame_equal(df_swisslipids_edges, df_sl_edges)\n",
    "    print('DataFrames for edges are equal')\n",
    "except AssertionError as e:\n",
    "    print(e)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Great! It looks like both approaches achieve the same df. We will use these dfs in other parts of the package."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "If they are different, we can inspect the exact rows here"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "source_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "source_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "target_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "interlayer",
         "rawType": "bool",
         "type": "boolean"
        },
        {
         "name": "_merge",
         "rawType": "category",
         "type": "unknown"
        }
       ],
       "conversionMethod": "pd.DataFrame",
       "ref": "9677ddca-be2a-49d2-b5af-c98220199a20",
       "rows": [],
       "shape": {
        "columns": 6,
        "rows": 0
       }
      },
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>source_layer</th>\n",
       "      <th>source_id</th>\n",
       "      <th>target_layer</th>\n",
       "      <th>target_id</th>\n",
       "      <th>interlayer</th>\n",
       "      <th>_merge</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "Empty DataFrame\n",
       "Columns: [source_layer, source_id, target_layer, target_id, interlayer, _merge]\n",
       "Index: []"
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "diff = df_sl_edges.merge(df_swisslipids_edges, how='outer', indicator=True)\n",
    "diff_rows_edges = diff[diff['_merge'] != 'both']\n",
    "diff_rows_edges"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.microsoft.datawrangler.viewer.v0+json": {
       "columns": [
        {
         "name": "index",
         "rawType": "int64",
         "type": "integer"
        },
        {
         "name": "layer",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "node_id",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Lipid ID",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Level",
         "rawType": "object",
         "type": "string"
        },
        {
         "name": "Name",
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        {
         "name": "SMILES (pH7.3)",
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        {
         "name": "InChI (pH7.3)",
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        {
         "name": "Mass (pH7.3)",
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       "Columns: [layer, node_id, Lipid ID, Level, Name, Abbreviation*, Synonyms*, Lipid class*, Parent, Components*, SMILES (pH7.3), InChI (pH7.3), InChI key (pH7.3), Formula (pH7.3), Charge (pH7.3), Mass (pH7.3), Exact Mass (neutral form), Exact m/z of [M.]+, Exact m/z of [M+H]+, Exact m/z of [M+K]+ , Exact m/z of [M+Na]+, Exact m/z of [M+Li]+, Exact m/z of [M+NH4]+, Exact m/z of [M-H]-, Exact m/z of [M+Cl]-, Exact m/z of [M+OAc]- , CHEBI, LIPID MAPS, HMDB, MetaNetX, PMID, Components_parsed, _merge]\n",
       "Index: []\n",
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     },
     "execution_count": 33,
     "metadata": {},
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   ],
   "source": [
    "diff = df_sl_nodes.merge(df_swisslipids_nodes, how='outer', indicator=True)\n",
    "diff_rows_nodes = diff[diff['_merge'] != 'both']\n",
    "diff_rows_nodes"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "These should also be the same"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {},
   "outputs": [
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       "        source_layer      source_id target_layer      target_id  interlayer\n",
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     "execution_count": 38,
     "metadata": {},
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   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "metadata": {},
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       "        source_layer      source_id target_layer      target_id  interlayer\n",
       "1640     swisslipids  SLM:000389145     sl_chebi          18059        True\n",
       "429400   swisslipids  SLM:000389145  sl_metanetx      MNXM12117        True\n",
       "549344   swisslipids  SLM:000389145  swisslipids  SLM:000000436       False\n",
       "549407   swisslipids  SLM:000389145  swisslipids  SLM:000000525       False\n",
       "549887   swisslipids  SLM:000389145  swisslipids  SLM:000001193       False\n",
       "665828   swisslipids  SLM:000389145  swisslipids  SLM:000117142       False\n",
       "936914   swisslipids  SLM:000389145  swisslipids  SLM:000390054       False\n",
       "1046948  swisslipids  SLM:000389145  swisslipids  SLM:000500463       False\n",
       "1055230  swisslipids  SLM:000389145  swisslipids  SLM:000508860       False\n",
       "1328368  swisslipids  SLM:000389145  swisslipids  SLM:000782283       False"
      ]
     },
     "execution_count": 39,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_swisslipids_edges[df_swisslipids_edges['source_id']=='SLM:000389145']"
   ]
  }
 ],
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