{"name":"2-hydroxyglutaric acid","SMILES":"C(CC(=O)O)C(C(=O)O)O","HMDB":"HMDB0059655"}
{"name":"alpha ketoglutaric acid","SMILES":"C(CC(=O)O)C(=O)C(=O)O","HMDB":"HMDB0000208"}
{"name":"2-ketoisocaproic acid","SMILES":"CC(C)CC(=O)C(=O)O","HMDB":"HMDB0000695"}
{"name":"hydrocinnamic acid","SMILES":"C1=CC=C(C=C1)CCC(=O)O","HMDB":"HMDB0000764"}
{"name":"adipic acid","SMILES":"C(CCC(=O)O)CC(=O)O","HMDB":"HMDB0000448"}
{"name":"allantoic acid","SMILES":"C(C(=O)O)(NC(=O)N)NC(=O)N","HMDB":"HMDB0001209"}
{"name":"allantoin","SMILES":"C1(C(=O)NC(=O)N1)NC(=O)N","HMDB":"HMDB0000462"}
{"name":"arabinose","SMILES":"C1C(C(C(C(O1)O)O)O)O"}
{"name":"asparagine","SMILES":"C(C(C(=O)O)N)C(=O)N","HMDB":"HMDB0000168"}
{"name":"beta-alanine","SMILES":"C(CN)C(=O)O","HMDB":"HMDB0000056"}
{"name":"benzoic acid","SMILES":"C1=CC=C(C=C1)C(=O)O","HMDB":"HMDB0001870"}
{"name":"cytidine-5'-diphosphate","SMILES":"C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O","HMDB":"HMDB0001546"}
{"name":"citric acid","SMILES":"C(C(=O)O)C(CC(=O)O)(C(=O)O)O","HMDB":"HMDB0000094"}
{"name":"hippuric acid","SMILES":"C1=CC=C(C=C1)C(=O)NCC(=O)O","HMDB":"HMDB0000714"}
{"name":"2-aminoadipic acid","SMILES":"C(CC(C(=O)O)N)CC(=O)O","HMDB":"HMDB0302754"}
{"name":"creatinine","SMILES":"CN1CC(=O)N=C1N","HMDB":"HMDB0000562"}
{"name":"cysteine","SMILES":"C(C(C(=O)O)N)S","HMDB":"HMDB0000574"}
{"name":"lactic acid","SMILES":"CC(C(=O)O)O"}
{"name":"ethanolamine","SMILES":"C(CO)N","HMDB":"HMDB0000149"}
{"name":"3-phosphoglycerate","SMILES":"C(C(C(=O)O)O)OP(=O)(O)O","HMDB":"HMDB0000807"}
{"name":"glutaric acid","SMILES":"C(CC(=O)O)CC(=O)O","HMDB":"HMDB0000661"}
{"name":"glycine","SMILES":"C(C(=O)O)N","HMDB":"HMDB0000123"}
{"name":"glyceric acid","SMILES":"C(C(C(=O)O)O)O"}
{"name":"glycerol","SMILES":"C(C(CO)O)O","HMDB":"HMDB0000131"}
{"name":"glycerol-alpha-phosphate","SMILES":"C(C(COP(=O)(O)O)O)O","HMDB":"HMDB0252849"}
{"name":"glycolic acid","SMILES":"C(C(=O)O)O","HMDB":"HMDB0000115"}
{"name":"hydroxylamine","SMILES":"NO","HMDB":"HMDB0003338"}
{"name":"hypoxanthine","SMILES":"C1=NC2=C(N1)C(=O)N=CN2","HMDB":"HMDB0000157"}
{"name":"4-hydroxyproline","SMILES":"C1C(CNC1C(=O)O)O","HMDB":"HMDB0000725"}
{"name":"ribitol","SMILES":"C(C(C(C(CO)O)O)O)O"}
{"name":"myo-inositol","SMILES":"C1(C(C(C(C(C1O)O)O)O)O)O","HMDB":"HMDB0000211"}
{"name":"nicotinamide","SMILES":"C1=CC(=CN=C1)C(=O)N","HMDB":"HMDB0001406"}
{"name":"nicotinic acid","SMILES":"C1=CC(=CN=C1)C(=O)O","HMDB":"HMDB0001488"}
{"name":"orotic acid","SMILES":"C1=C(NC(=O)NC1=O)C(=O)O","HMDB":"HMDB0000226"}
{"name":"oxalic acid","SMILES":"C(=O)(C(=O)O)O","HMDB":"HMDB0002329"}
{"name":"palmitic acid","SMILES":"CCCCCCCCCCCCCCCC(=O)O","HMDB":"HMDB0000220"}
{"name":"phenylethylamine","SMILES":"C1=CC=C(C=C1)CCN","HMDB":"HMDB0012275"}
{"name":"phosphoethanolamine","SMILES":"C(COP(=O)(O)O)N","HMDB":"HMDB0000224"}
{"name":"pyrophosphate","SMILES":"OP(=O)(O)OP(=O)(O)O","HMDB":"HMDB0304340"}
{"name":"putrescine","SMILES":"C(CCN)CN","HMDB":"HMDB0001414"}
{"name":"pyruvic acid","SMILES":"CC(=O)C(=O)O","HMDB":"HMDB0000243"}
{"name":"succinic acid","SMILES":"C(CC(=O)O)C(=O)O","HMDB":"HMDB0000254"}
{"name":"sulfuric acid","SMILES":"OS(=O)(=O)O","HMDB":"HMDB0001448"}
{"name":"taurine","SMILES":"C(CS(=O)(=O)O)N","HMDB":"HMDB0000251"}
{"name":"thymine","SMILES":"CC1=CNC(=O)NC1=O","HMDB":"HMDB0000262"}
{"name":"uracil","SMILES":"C1=CNC(=O)NC1=O","HMDB":"HMDB0000300"}
{"name":"uric acid","SMILES":"C12=C(NC(=O)N1)NC(=O)NC2=O","HMDB":"HMDB0000289"}
{"name":"urea","SMILES":"C(=O)(N)N","HMDB":"HMDB0000294"}
{"name":"xanthine","SMILES":"C1=NC2=C(N1)C(=O)NC(=O)N2","HMDB":"HMDB0000292"}
{"name":"isocitric acid","SMILES":"C(C(C(C(=O)O)O)C(=O)O)C(=O)O","HMDB":"HMDB0000193"}
{"name":"5-hydroxyindole-3-acetic acid NIST","SMILES":"C1=CC2=C(C=C1O)C(=CN2)CC(=O)O","HMDB":"HMDB0000763"}
{"name":"5-methoxytryptamine","SMILES":"COC1=CC2=C(C=C1)NC=C2CCN","HMDB":"HMDB0004095"}
{"name":"azelaic acid","SMILES":"C(CCCC(=O)O)CCCC(=O)O","HMDB":"HMDB0000784"}
{"name":"capric acid","SMILES":"CCCCCCCCCC(=O)O","HMDB":"HMDB0000511"}
{"name":"lauric acid","SMILES":"CCCCCCCCCCCC(=O)O","HMDB":"HMDB0000638"}
{"name":"stearic acid","SMILES":"CCCCCCCCCCCCCCCCCC(=O)O","HMDB":"HMDB0000827"}
{"name":"Acylcarnitine C18:0","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C","HMDB":"HMDB0000848"}
{"name":"ribose","SMILES":"C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O"}
{"name":"sorbitol","SMILES":"C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O","HMDB":"HMDB0000247"}
{"name":"alanine","SMILES":"C[C@@H](C(=O)O)N","HMDB":"HMDB0000161"}
{"name":"serine","SMILES":"C([C@@H](C(=O)O)N)O","HMDB":"HMDB0000187"}
{"name":"glucose-6-phosphate","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)(O)O","HMDB":"HMDB0001401"}
{"name":"aspartic acid","SMILES":"C([C@@H](C(=O)O)N)C(=O)O","HMDB":"HMDB0000191"}
{"name":"glutamine","SMILES":"C(CC(=O)N)[C@@H](C(=O)O)N","HMDB":"HMDB0000641"}
{"name":"lysine","SMILES":"C(CCN)C[C@@H](C(=O)O)N","HMDB":"HMDB0000182"}
{"name":"fructose","SMILES":"C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O"}
{"name":"sucrose","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O","HMDB":"HMDB0000258"}
{"name":"cholesterol","SMILES":"C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C","HMDB":"HMDB0000067"}
{"name":"inosine","SMILES":"C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O","HMDB":"HMDB0000195"}
{"name":"uridine","SMILES":"C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O","HMDB":"HMDB0000296"}
{"name":"tyrosine","SMILES":"C1=CC(=CC=C1C[C@@H](C(=O)O)N)O","HMDB":"HMDB0000158"}
{"name":"adenosine-5-phosphate","SMILES":"C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O","HMDB":"HMDB0000045"}
{"name":"leucine","SMILES":"CC(C)C[C@@H](C(=O)O)N","HMDB":"HMDB0000687"}
{"name":"methionine","SMILES":"CSCC[C@@H](C(=O)O)N","HMDB":"HMDB0033951"}
{"name":"phenylalanine","SMILES":"C1=CC=C(C=C1)C[C@@H](C(=O)O)N","HMDB":"HMDB0250791"}
{"name":"maltose","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O"}
{"name":"ornithine","SMILES":"C(C[C@@H](C(=O)O)N)CN","HMDB":"HMDB0000214"}
{"name":"valine","SMILES":"CC(C)[C@@H](C(=O)O)N","HMDB":"HMDB0000883"}
{"name":"threonine","SMILES":"C[C@H]([C@@H](C(=O)O)N)O","HMDB":"HMDB0000167"}
{"name":"tryptophan","SMILES":"C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N","HMDB":"HMDB0000929"}
{"name":"isoleucine","SMILES":"CC[C@H](C)[C@@H](C(=O)O)N","HMDB":"HMDB0000172"}
{"name":"pantothenic acid","SMILES":"CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O","HMDB":"HMDB0000210"}
{"name":"5b-cholestanol","SMILES":"C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C","HMDB":"HMDB0000908"}
{"name":"xylitol","SMILES":"C([C@H](C([C@H](CO)O)O)O)O","HMDB":"HMDB0242149"}
{"name":"gluconic acid lactone","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O","HMDB":"HMDB0000150"}
{"name":"oxoproline","SMILES":"C1CC(=O)N[C@@H]1C(=O)O","HMDB":"HMDB0000267"}
{"name":"trehalose","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O","HMDB":"HMDB0000975"}
{"name":"pelargonic acid","SMILES":"CCCCCCCCC(=O)O","HMDB":"HMDB0000847"}
{"name":"dodecanol","SMILES":"CCCCCCCCCCCCO","HMDB":"HMDB0011626"}
{"name":"shikimic acid","SMILES":"C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O","HMDB":"HMDB0003070"}
{"name":"citrulline","SMILES":"C(C[C@@H](C(=O)O)N)CNC(=O)N","HMDB":"HMDB0000904"}
{"name":"4-hydroxybutyric acid","SMILES":"C(CC(=O)O)CO","HMDB":"HMDB0000710"}
{"name":"propane-1,3-diol NIST","SMILES":"C(CO)CO"}
{"name":"methylhexadecanoic acid","SMILES":"CCCCCCCCCCCCCCCCC(=O)O","HMDB":"HMDB0061859"}
{"name":"arachidic acid","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)O","HMDB":"HMDB0002212"}
{"name":"maleimide","SMILES":"C1=CC(=O)NC1=O","HMDB":"HMDB0254312"}
{"name":"N-acetylglycine NIST","SMILES":"CC(=O)NCC(=O)O","HMDB":"HMDB0000532"}
{"name":"myristic acid","SMILES":"CCCCCCCCCCCCCC(=O)O","HMDB":"HMDB0000806"}
{"name":"TG (48:0)","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC","HMDB":"HMDB0005356"}
{"name":"(s)-(+)-mandelic acid","SMILES":"C1=CC=C(C=C1)[C@H](C(=O)O)O","HMDB":"HMDB0000703"}
{"name":"butyrolactam NIST","SMILES":"C1CC(=O)NC1","HMDB":"HMDB0002039"}
{"name":"homoserine","SMILES":"C(CO)[C@@H](C(=O)O)N","HMDB":"HMDB0000719"}
{"name":"methanolphosphate","SMILES":"COP(=O)(O)O"}
{"name":"1-monopalmitin","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(CO)O","HMDB":"HMDB0245964"}
{"name":"tocopherol alpha","SMILES":"CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O","HMDB":"HMDB0001893"}
{"name":"pseudo uridine","SMILES":"C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O","HMDB":"HMDB0000767"}
{"name":"Acylcarnitine C16:0","SMILES":"CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C","HMDB":"HMDB0240774"}
{"name":"mannose","SMILES":"C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O"}
{"name":"1-monostearin","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O"}
{"name":"2,3-dihydroxypyridine","SMILES":"C1=CNC(=O)C(=C1)O","HMDB":"HMDB0245397"}
{"name":"glutamic acid","SMILES":"C(CC(=O)O)[C@@H](C(=O)O)N","HMDB":"HMDB0000148"}
{"name":"saccharic acid","SMILES":"[C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O","HMDB":"HMDB0000663"}
{"name":"xanthosine","SMILES":"C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O","HMDB":"HMDB0000299"}
{"name":"1,5-anhydroglucitol","SMILES":"C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O","HMDB":"HMDB0002712"}
{"name":"glucose-1-phosphate","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O","HMDB":"HMDB0001586"}
{"name":"parabanic acid NIST","SMILES":"C1(=O)C(=O)NC(=O)N1","HMDB":"HMDB0062802"}
{"name":"cystine","SMILES":"C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N","HMDB":"HMDB0250712"}
{"name":"isobutene glycol NIST","SMILES":"CC(C)(CO)O"}
{"name":"fructose-6-phosphate","SMILES":"C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O","HMDB":"HMDB0000124"}
{"name":"5-hydroxymethyl-2-furoic acid NIST","SMILES":"C1=C(OC(=C1)C(=O)O)CO","HMDB":"HMDB0002432"}
{"name":"galacturonic acid","SMILES":"C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O","HMDB":"HMDB0003363"}
{"name":"LPC (16:0)","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0256091"}
{"name":"delta-4-cholestenone","SMILES":"C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C","HMDB":"HMDB0000921"}
{"name":"tagatose","SMILES":"C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O"}
{"name":"3-hydroxybutanoic acid","SMILES":"C[C@H](CC(=O)O)O"}
{"name":"indole-3-lactate","SMILES":"C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O"}
{"name":"arabitol","SMILES":"C([C@H](C([C@@H](CO)O)O)O)O","HMDB":"HMDB0000568"}
{"name":"lactamide","SMILES":"CC(C(=O)N)O","HMDB":"HMDB0253942"}
{"name":"fucose","SMILES":"C[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O","HMDB":"HMDB0000174"}
{"name":"glucuronic acid","SMILES":"[C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O"}
{"name":"2-hydroxy-2-methylbutanoic acid","SMILES":"CCC(C)(C(=O)O)O","HMDB":"HMDB0001987"}
{"name":"2-hydroxyvaleric acid","SMILES":"CCCC(C(=O)O)O","HMDB":"HMDB0001863"}
{"name":"talose","SMILES":"C([C@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O"}
{"name":"aminomalonic acid","SMILES":"C(C(=O)O)(C(=O)O)N","HMDB":"HMDB0001147"}
{"name":"glucose","SMILES":"C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O","HMDB":"HMDB0304632"}
{"name":"galactonic acid","SMILES":"C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O","HMDB":"HMDB0000565"}
{"name":"xylose","SMILES":"C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O","HMDB":"HMDB0000098"}
{"name":"proline","SMILES":"C1C[C@H](NC1)C(=O)O","HMDB":"HMDB0000162"}
{"name":"2-deoxytetronic acid","SMILES":"C(C(CO)O)C(=O)O","HMDB":"HMDB0000337"}
{"name":"isothreonic acid","SMILES":"C([C@H]([C@@H](C(=O)O)O)O)O"}
{"name":"pinitol NIST","SMILES":"COC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O","HMDB":"HMDB0304321"}
{"name":"threitol","SMILES":"C([C@H]([C@@H](CO)O)O)O","HMDB":"HMDB0004136"}
{"name":"PC (o-32:0)","SMILES":"CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C"}
{"name":"idonic acid NIST","SMILES":"C([C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O"}
{"name":"raffinose","SMILES":"C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O","HMDB":"HMDB0003213"}
{"name":"cholic acid","SMILES":"C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C","HMDB":"HMDB0000619"}
{"name":"beta-sitosterol","SMILES":"CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C","HMDB":"HMDB0000852"}
{"name":"erythritol","SMILES":"C([C@H]([C@H](CO)O)O)O","HMDB":"HMDB0002994"}
{"name":"malic acid","SMILES":"C([C@@H](C(=O)O)O)C(=O)O"}
{"name":"dihydroabietic acid","SMILES":"CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C"}
{"name":"galactinol","SMILES":"C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)O)O)O)O"}
{"name":"threonic acid","SMILES":"C(C(C(C(=O)O)O)O)O","HMDB":"HMDB0000943"}
{"name":"inulobiose","SMILES":"C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O"}
{"name":"N-acetyl-D-tryptophan","SMILES":"CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O"}
{"name":"3,6-anhydrogalactose","SMILES":"C1[C@H]([C@@H]([C@H](O1)[C@@H](C=O)O)O)O"}
{"name":"sophorose","SMILES":"C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O"}
{"name":"aconitic acid","SMILES":"C(/C(=C\\C(=O)O)/C(=O)O)C(=O)O","HMDB":"HMDB0000958"}
{"name":"fumaric acid","SMILES":"C(=C/C(=O)O)\\C(=O)O","HMDB":"HMDB0000134"}
{"name":"palmitoleic acid","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)O","HMDB":"HMDB0003229"}
{"name":"oleic acid","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O","HMDB":"HMDB0000207"}
{"name":"2-phenylpropanol NIST","SMILES":"C[C@H](CO)C1=CC=CC=C1","HMDB":"HMDB0031628"}
{"name":"PGD2","SMILES":"CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\\CCCC(=O)O)O","HMDB":"HMDB0001403"}
{"name":"PC 32:0","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC","HMDB":"HMDB0000564"}
{"name":"LPC (18:0)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010384"}
{"name":"lactobionic acid","SMILES":"C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.[Na+]"}
{"name":"TG (50:0)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC","HMDB":"HMDB0043913"}
{"name":"TG (52:0)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC","HMDB":"HMDB0108596"}
{"name":"glycerol-3-galactoside","SMILES":"C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O","HMDB":"HMDB0006790"}
{"name":"levoglucosan","SMILES":"C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O","HMDB":"HMDB0000640"}
{"name":"TG (46:0)","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC"}
{"name":"glyoxalurea NIST","SMILES":"C1(C(=O)NC(=O)N1)O"}
{"name":"PGE2","SMILES":"CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\\CCCC(=O)O)O)O","HMDB":"HMDB0001220"}
{"name":"PGF2a","SMILES":"CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O"}
{"name":"linoleic acid","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O","HMDB":"HMDB0000673"}
{"name":"LTB4","SMILES":"CCCCC/C=C\\C[C@H](/C=C/C=C/C=C\\[C@H](CCCC(=O)O)O)O","HMDB":"HMDB0001085"}
{"name":"15-oxo-ETE","SMILES":"CCCCCC(=O)/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O","HMDB":"HMDB0010210"}
{"name":"15-HETE","SMILES":"CCCCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O","HMDB":"HMDB0003876"}
{"name":"5-HETE","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\[C@H](CCCC(=O)O)O","HMDB":"HMDB0011134"}
{"name":"stigmasterol","SMILES":"CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C","HMDB":"HMDB0000937"}
{"name":"linolenic acid","SMILES":"CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O","HMDB":"HMDB0001388"}
{"name":"9-HODE","SMILES":"CCCCC/C=C\\C=C\\C(CCCCCCCC(=O)O)O","HMDB":"HMDB0062652"}
{"name":"9,10,13-TriHOME","SMILES":"CCCCCC(/C=C/C(C(CCCCCCCC(=O)O)O)O)O"}
{"name":"EKODE","SMILES":"CCCCCC1C(O1)/C=C/C(=O)CCCCCCCC(=O)O","HMDB":"HMDB0013623"}
{"name":"12(13)-EpOME","SMILES":"CCCCCC1C(O1)C/C=C/CCCCCCCC(=O)O","HMDB":"HMDB0247613"}
{"name":"TXB2","SMILES":"CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)C/C=C\\CCCC(=O)O)O","HMDB":"HMDB0003252"}
{"name":"5,6-DiHETrE","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\CC(C(CCCC(=O)O)O)O","HMDB":"HMDB0002343"}
{"name":"8,9-DiHETrE","SMILES":"CCCCC/C=C\\C/C=C\\CC(C(C/C=C\\CCCC(=O)O)O)O","HMDB":"HMDB0002311"}
{"name":"15(S)-HETrE","SMILES":"CCCCC[C@@H](/C=C/C=C\\C/C=C\\CCCCCCC(=O)O)O","HMDB":"HMDB0005045"}
{"name":"11,12-DiHETrE","SMILES":"CCCCC/C=C\\CC(C(C/C=C\\C/C=C\\CCCC(=O)O)O)O","HMDB":"HMDB0002314"}
{"name":"14,15-DiHETrE","SMILES":"CCCCCC(C(C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O)O","HMDB":"HMDB0002265"}
{"name":"8-HETE","SMILES":"CCCCC/C=C\\C/C=C\\C=C\\[C@H](C/C=C\\CCCC(=O)O)O","HMDB":"HMDB0004679"}
{"name":"12-HETE","SMILES":"CCCCC/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\CCCC(=O)O)O","HMDB":"HMDB0006111"}
{"name":"5-oxo-ETE","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(=O)CCCC(=O)O","HMDB":"HMDB0010217"}
{"name":"12-oxo-ETE","SMILES":"CCCCC/C=C\\CC(=O)/C=C/C=C\\C/C=C\\CCCC(=O)O","HMDB":"HMDB0013633"}
{"name":"14(15)-EpETrE","SMILES":"CCCCCC1C(O1)C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O","HMDB":"HMDB0004264"}
{"name":"plasmenyl-PE (38:6)","SMILES":"CCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0005780"}
{"name":"Cer (d42:2) B","SMILES":"CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O","HMDB":"HMDB0004953"}
{"name":"N-Stearoyl-4-sphingenyl-1-O-phosphorylcholine","SMILES":"CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O"}
{"name":"CE (18:1)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C"}
{"name":"CE (18:2)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C"}
{"name":"PC (34:2)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0007973"}
{"name":"N-methylalanine","SMILES":"C[C@@H](C(=O)O)NC","HMDB":"HMDB0094692"}
{"name":"arachidonic acid","SMILES":"CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O","HMDB":"HMDB0001043"}
{"name":"gamma-glutamyl-valine","SMILES":"CC(C)C(C(=O)O)NC(=O)CCC(C(=O)O)N"}
{"name":"11-HETE","SMILES":"CCCCC/C=C/C=C/C(C/C=C/C/C=C/CCCC(=O)O)O","HMDB":"HMDB0244355"}
{"name":"5(6)-EpETrE","SMILES":"CCCCC/C=C/C/C=C/C/C=C/CC1C(O1)CCCC(=O)O","HMDB":"HMDB0246887"}
{"name":"8(9)-EpETrE","SMILES":"CCCCC/C=C/C/C=C/CC1C(O1)C/C=C/CCCC(=O)O","HMDB":"HMDB0247485"}
{"name":"TG (52:1)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"ribonic acid","SMILES":"C([C@H]([C@H]([C@H](C(=O)O)O)O)O)O","HMDB":"HMDB0000867"}
{"name":"PC (18:1/16:0)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC","HMDB":"HMDB0007972"}
{"name":"TG (54:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCCC","HMDB":"HMDB0005453"}
{"name":"TG (52:2)","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC"}
{"name":"TG (54:2)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC","HMDB":"HMDB0031144"}
{"name":"9(10)-EpOME","SMILES":"CCCCC/C=C\\CC1C(O1)CCCCCCCC(=O)O","HMDB":"HMDB0004701"}
{"name":"PC (33:2)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"5-HEPE","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C=C\\C(CCCC(=O)O)O","HMDB":"HMDB0005081"}
{"name":"9-HOTrE","SMILES":"CC/C=C\\C/C=C\\C=C\\[C@H](CCCCCCCC(=O)O)O"}
{"name":"Acylcarnitine C18:1","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"}
{"name":"13-HODE","SMILES":"CCCCC[C@@H](/C=C/C=C\\CCCCCCCC(=O)O)O","HMDB":"HMDB0004667"}
{"name":"PC (32:1)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCC","HMDB":"HMDB0007969"}
{"name":"SM (d16:1/20:1)","SMILES":"CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\\CCCCCCCC)O","HMDB":"HMDB0012101"}
{"name":"12(13)-EpODE","SMILES":"CCCCC[C@@H]1[C@@H](O1)C/C=C\\CCCCCCCC(=O)O"}
{"name":"Acylcarnitine C18:2","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C","HMDB":"HMDB0006469"}
{"name":"SM (d16:1/20:0)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O","HMDB":"HMDB0001348"}
{"name":"CE (20:4)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C"}
{"name":"DG (36:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0007219"}
{"name":"TG (48:1)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCCCCCCCCCC"}
{"name":"TG (48:2)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC"}
{"name":"TG (49:1)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCC)OC(=O)CCCCCCCCCCCCCCC"}
{"name":"TG (49:2)","SMILES":"CCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC"}
{"name":"TG (51:1)","SMILES":"CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCC)OC(=O)CCCCCCCCCCCCCCCC"}
{"name":"TG (50:2)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC","HMDB":"HMDB0044889"}
{"name":"TG (51:2)","SMILES":"CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCC"}
{"name":"TG (51:3)","SMILES":"CCCCCCC/C=C\\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\\CCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCC"}
{"name":"TG (51:4)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCC"}
{"name":"TG (52:3)","SMILES":"CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (53:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (53:4)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (53:5)","SMILES":"CCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (54:4)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (54:5)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG 55:4","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (56:1)","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (54:6)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCC)COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (56:2)","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (54:8)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCC"}
{"name":"TG(16:0/18:2/20:5)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (56:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (56:6)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (56:7)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\\CCCCCCCC"}
{"name":"TG (56:8)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:4)  A","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG 58:5","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:6)","SMILES":"CCCCCCCC/C=C\\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:8)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:9)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:10)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"TG (58:2)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"PC (35:2)","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0009225"}
{"name":"9-oxo-ODE","SMILES":"CCCCC/C=C\\C=C\\C(=O)CCCCCCCC(=O)O","HMDB":"HMDB0004669"}
{"name":"9,12,13-TriHOME","SMILES":"CCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCC(=O)O)O)O)O","HMDB":"HMDB0004708"}
{"name":"SM (d18:1/16:0)","SMILES":"CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O","HMDB":"HMDB0010169"}
{"name":"SM (34:0)","SMILES":"CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC)O","HMDB":"HMDB0010168"}
{"name":"9,10-DiHOME","SMILES":"CCCCC/C=C\\CC(C(CCCCCCCC(=O)O)O)O"}
{"name":"conduritol beta expoxide","SMILES":"[C@@H]1([C@@H]([C@H](C2C([C@@H]1O)O2)O)O)O"}
{"name":"12-HEPE","SMILES":"CC/C=C\\C/C=C\\CC(/C=C/C=C\\C/C=C\\CCCC(=O)O)O","HMDB":"HMDB0010202"}
{"name":"12,13-DiHOME","SMILES":"CCCCCC(C(C/C=C\\CCCCCCCC(=O)O)O)O"}
{"name":"PC (36:2)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC","HMDB":"HMDB0000593"}
{"name":"LPC (22:6)","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010404"}
{"name":"PC (36:4) A","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0007982"}
{"name":"LPC (18:2)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010386"}
{"name":"SM (d18:1/14:0)","SMILES":"CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O","HMDB":"HMDB0012097"}
{"name":"19(20)-EpDPE","SMILES":"CCC1C(O1)C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O","HMDB":"HMDB0013620"}
{"name":"10(11)-EpDPE","SMILES":"CC/C=C\\C/C=C\\C/C=C\\CC1C(O1)C/C=C\\C/C=C\\CCC(=O)O"}
{"name":"7(8)-EpDPE","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC1C(O1)C/C=C\\CCC(=O)O"}
{"name":"13(14)-EpDPE","SMILES":"CC/C=C\\C/C=C\\CC1C(O1)C/C=C\\C/C=C\\C/C=C\\CCC(=O)O"}
{"name":"LPC (20:5)","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010397"}
{"name":"2,3-dihydroxybutanoic acid NIST","SMILES":"C[C@@H]([C@H](C(=O)O)O)O","HMDB":"HMDB0245394"}
{"name":"9-HETE","SMILES":"CCCCC/C=C\\C/C=C\\CC(/C=C/C=C\\CCCC(=O)O)O"}
{"name":"CE (22:6)","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C"}
{"name":"16(17)-EpDPE","SMILES":"CC/C=C\\CC1C(O1)C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O","HMDB":"HMDB0013621"}
{"name":"TG (54:1)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC"}
{"name":"9(10)-EpODE","SMILES":"CC/C=C\\C/C=C\\CC1C(O1)CCCCCCCC(=O)O","HMDB":"HMDB0010220"}
{"name":"15(16)-EpODE","SMILES":"CCC1C(O1)C/C=C\\C/C=C\\CCCCCCCC(=O)O","HMDB":"HMDB0010206"}
{"name":"9,10-DiHODE","SMILES":"CC/C=C\\C/C=C\\CC(C(CCCCCCCC(=O)O)O)O","HMDB":"HMDB0010221"}
{"name":"15,16-DiHODE","SMILES":"CCC(C(C/C=C\\C/C=C\\CCCCCCCC(=O)O)O)O","HMDB":"HMDB0010208"}
{"name":"13-HOTrE","SMILES":"CC/C=C\\C[C@@H](/C=C/C=C\\CCCCCCCC(=O)O)O"}
{"name":"11(12)-EpETrE","SMILES":"CC/C=C\\C/C=C\\CC1C(O1)C/C=C\\C/C=C\\CCCC(=O)O"}
{"name":"14,15-DiHETE","SMILES":"CC/C=C\\CC(C(C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O)O","HMDB":"HMDB0010204"}
{"name":"17,18-DiHETE","SMILES":"CCC(C(C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O)O","HMDB":"HMDB0010211"}
{"name":"8-HEPE","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C=C\\C(C/C=C\\CCCC(=O)O)O"}
{"name":"10,11-DiHDPE","SMILES":"CC/C=C\\C/C=C\\C/C=C\\CC(C(C/C=C\\C/C=C\\CCC(=O)O)O)O"}
{"name":"13,14-DiHDPE","SMILES":"CC/C=C\\C/C=C\\CC(C(C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)O)O"}
{"name":"16,17-DiHDPE","SMILES":"CC/C=C\\CC(C(C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)O)O"}
{"name":"19,20-DiHDPE","SMILES":"CCC(C(C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)O)O","HMDB":"HMDB0010214"}
{"name":"LPC (18:1)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0002815"}
{"name":"PC (38:4) A","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0008048"}
{"name":"hydroxycarbamate NIST","SMILES":"C(=O)(NO)O"}
{"name":"trihydroxypyrazine NIST","SMILES":"C1=C(NC(=O)C(=O)N1)O"}
{"name":"pyrazine 2,5-dihydroxy  NIST","SMILES":"C1=C(N=CC(=O)N1)O"}
{"name":"PC (34:0)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0007970"}
{"name":"PC (32:2)","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCC","HMDB":"HMDB0008002"}
{"name":"PC (36:5) C","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0008015"}
{"name":"PC (36:3) A","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\\C/C=C\\CCCCCCCC"}
{"name":"PC (40:7)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0008154"}
{"name":"PC (38:2)","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0008270"}
{"name":"LPC (15:0)","SMILES":"CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010381"}
{"name":"LPC (16:1)","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010383"}
{"name":"LPC (20:1)","SMILES":"CCCCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O"}
{"name":"LPC (20:4)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010395"}
{"name":"PG 36:1","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC","HMDB":"HMDB0010604"}
{"name":"pipecolic acid","SMILES":"C1CC[NH2+]C(C1)C(=O)[O-]","HMDB":"HMDB0000070"}
{"name":"TG (50:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC"}
{"name":"TG (50:4)","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC"}
{"name":"TG (52:4)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCC)COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (52:5)","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (56:4)","SMILES":"CCCCCCCC/C=C\\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"TG (56:5)","SMILES":"CCCCCCCC/C=C\\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0050589"}
{"name":"TG (50:1)","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC"}
{"name":"methionine sulfoxide","SMILES":"CS(=O)CCC(C(=O)[O-])[NH3+]","HMDB":"HMDB0250776"}
{"name":"PC (33:1)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC"}
{"name":"plasmenyl-PE 40:6","SMILES":"CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0011394"}
{"name":"PI (38:4)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC"}
{"name":"SM (d38:1)","SMILES":"CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O","HMDB":"HMDB0012102"}
{"name":"SM (d40:1)","SMILES":"CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O"}
{"name":"N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholine","SMILES":"CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O","HMDB":"HMDB0012107"}
{"name":"SM (d42:1)","SMILES":"CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O","HMDB":"HMDB0011697"}
{"name":"Oleoyl ethylamide","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)NCC"}
{"name":"SM (d41:1)","SMILES":"CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O"}
{"name":"PE (34:2) B","SMILES":"CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0008928"}
{"name":"PC (35:2)","SMILES":"CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"PC (39:6)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCC)COP(=O)([O-])OCC[N+](C)(C)C"}
{"name":"PC 33:2","SMILES":"CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008132"}
{"name":"PC (37:2)","SMILES":"CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C"}
{"name":"PC (36:4)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008170"}
{"name":"PC (36:6)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008205"}
{"name":"PC (37:4)","SMILES":"CCCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])OCC[N+](C)(C)C"}
{"name":"PC (35:1)","SMILES":"CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008297"}
{"name":"PC (40:6)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0008345"}
{"name":"PC (38:5)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008402"}
{"name":"PC (38:6)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008434"}
{"name":"PC 40:6","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0008601"}
{"name":"PC (38:5) A","SMILES":"CCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008627"}
{"name":"PC (40:4)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008628"}
{"name":"PC (37:6)","SMILES":"CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008724"}
{"name":"PC (p-36:1) or PC (o-36:2)","SMILES":"CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"PC (p-40:3) or PC (o-40:4)","SMILES":"CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0013442"}
{"name":"LPC (20:2)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010392"}
{"name":"LPC (20:3)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O","HMDB":"HMDB0010394"}
{"name":"PE (38:6) B","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)(O)OCCN","HMDB":"HMDB0009390"}
{"name":"PE (38:6)","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0009102"}
{"name":"PE (40:4) A","SMILES":"CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0011391"}
{"name":"PE 36:4","SMILES":"CCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0011352"}
{"name":"PS (42:8)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N","HMDB":"HMDB0112649"}
{"name":"PI (38:5)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O"}
{"name":"PI (36:4)","SMILES":"CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O"}
{"name":"PI (34:2)","SMILES":"CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC)COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O"}
{"name":"PI (36:2)","SMILES":"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"SM (33:1)","SMILES":"CCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O","HMDB":"HMDB0240608"}
{"name":"SM (d40:2) A","SMILES":"CCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O","HMDB":"HMDB0011694"}
{"name":"SM (d18:2/23:0)","SMILES":"CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O","HMDB":"HMDB0240634"}
{"name":"SM (d18:2/24:1)","SMILES":"CCCCCCCC/C=C\\CCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O","HMDB":"HMDB0240636"}
{"name":"SM (d42:2) B","SMILES":"CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O","HMDB":"HMDB0240635"}
{"name":"SM (d18:1/16:1)","SMILES":"CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O","HMDB":"HMDB0240638"}
{"name":"PC (34:4)","SMILES":"CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0007884"}
{"name":"PC (34:3)","SMILES":"CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008361"}
{"name":"PC (35:3)","SMILES":"CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008363"}
{"name":"PC (35:4)","SMILES":"CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008461"}
{"name":"PC (40:8)","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0008666"}
{"name":"PC (p-40:6) or PC (o-40:7)","SMILES":"CCCCCCCC/C=C\\CCCCCC/C=C\\OC(COC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008721"}
{"name":"PC 42:10","SMILES":"CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O[C@H](COC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0008740"}
{"name":"PI (40:6)","SMILES":"CCCCCCCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC"}
{"name":"PC (p-38:5) or PC (o-38:6)","SMILES":"CCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0011227"}
{"name":"PC (p-36:3) or PC (o-36:4)","SMILES":"CCCCCCCCCCCCCCCC/C=C\\OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0011246"}
{"name":"PC (p-36:4) or PC (o-36:5)","SMILES":"CCCCCC/C=C\\CCCCCCCC/C=C\\OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0011278"}
{"name":"PC (p-36:2) or PC (o-36:3)","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](CO/C=C\\CCCCCC/C=C\\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0011309"}
{"name":"PC (p-38:3) or PC (o-38:4)","SMILES":"CCCCCCCC/C=C\\CCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0011316"}
{"name":"PE (p-38:4) or PE (o-38:5)","SMILES":"CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","HMDB":"HMDB0011386"}
{"name":"PE (p-36:4) or PE (o-36:5)","SMILES":"CCCCCC/C=C\\CCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\\C/C=C\\C/C=C\\CCCCC","HMDB":"HMDB0011410"}
{"name":"PC (p-34:0) or PC (o-34:1)","SMILES":"CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCC/C=C\\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C","HMDB":"HMDB0013424"}
{"name":"4-hydroxybenzoate","SMILES":"C1=CC(=CC=C1C(=O)O)[O-]","HMDB":"HMDB0304180"}
{"name":"TG (52:6)","SMILES":"CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC"}
{"name":"PC (p-34:1) or PC (o-34:2)","SMILES":"CCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\\CCCCCCCC/C=C\\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C"}