"Query" "Match" "HMDB" "PubChem" "KEGG" "SMILES" "Comment"
"1,3-Diaminopropane" "1,3-Diaminopropane" "HMDB0000002" "428" "C00986" "C(CN)CN" "1"
"Levoglucosan" "Levoglucosan" "HMDB0000640" "2724705" NA "C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O" "1"
"1-Methylhydantoin" "N-Methylhydantoin" "HMDB0003646" "69217" "C02565" "CN1CC(=O)NC1=O" "1"
"1-Methyl-L-Histidine" "1-Methylhistidine" "HMDB0000001" "92105" "C01152" "CN1C=C(N=C1)C[C@@H](C(=O)O)N" "1"
"QuinolinicAcid" "Quinolinic acid" "HMDB0000232" "1066" "C03722" "C1=CC(=C(N=C1)C(=O)O)C(=O)O" "1"
"2-AminoAdipicAcid" "2-aminoadipic acid" "HMDB0302754" "469" "C00956" "NC(CCCC(O)=O)C(O)=O" "1"
"2-AminobutyricAcid" "D-Alpha-aminobutyric acid" "HMDB0000650" "439691" "C02261" "CC[C@@H](N)C(O)=O" "1"
"2-Deoxyadenosine" "Deoxyadenosine" "HMDB0000101" "13730" "C00559" "C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O" "1"
"2-Deoxycytidine" "Deoxycytidine" "HMDB0000014" "13711" "C00881" "C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O" "1"
"2-Deoxyguanosine" "Deoxyguanosine" "HMDB0000085" "187790" "C00330" "C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O" "1"
"dAMP" "Deoxyadenosine monophosphate" "HMDB0000905" "12599" "C00360" "C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O" "1"
"2-Oxoisovalerate" "Alpha-ketoisovaleric acid" "HMDB0000019" "49" "C00141" "CC(C)C(=O)C(=O)O" "1"
"2-HydroxybutyricAcid" "2-Hydroxybutyric acid" "HMDB0000008" "11266" "C05984" "CCC(C(=O)O)O" "1"
"2-HydroxyphenylAceticAcid" "Ortho-Hydroxyphenylacetic acid" "HMDB0000669" "11970" "C05852" "C1=CC=C(C(=C1)CC(=O)O)O" "1"
"2-MethylglutaricAcid" "2-methylglutaric acid" "HMDB0000422" "12046" NA "CC(CCC(O)=O)C(O)=O" "1"
"2-Oxobutyrate" "2-Ketobutyric acid" "HMDB0000005" "58" "C00109" "CCC(=O)C(=O)O" "1"
"2-Oxoglutarate" "Oxoglutaric acid" "HMDB0000208" "51" "C00026" "C(CC(=O)O)C(=O)C(=O)O" "1"
"2-PicolinicAcid" "Picolinic acid" "HMDB0002243" "1018" "C10164" "C1=CC=NC(=C1)C(=O)O" "1"
"2-Propanol" "Isopropyl alcohol" "HMDB0000863" "3776" "C01845" "CC(C)O" "1"
"3-Hydroxybutyrate" "3-Hydroxybutyric acid" "HMDB0000357" "441" "C01089" "CC(CC(=O)O)O" "1"
"3-HydroxyphenylAceticAcid" "3-Hydroxyphenylacetic acid" "HMDB0000440" "12122" "C05593" "C1=CC(=CC(=C1)O)CC(=O)O" "1"
"3-MethyladipicAcid" "3-Methyladipic acid" "HMDB0000555" NA NA "C[C@@H](CCC(=O)O)CC(=O)O" "1"
"3-Methyl-L-Histidine" "3-Methylhistidine" "HMDB0000479" "64969" "C01152" "CN1C=NC=C1C[C@@H](C(=O)O)N" "1"
"3-Methylxanthine" "3-Methylxanthine" "HMDB0001886" "70639" "C16357" "CN1C2=C(C(=O)NC1=O)NC=N2" "1"
"3-PhenylPropionicAcid" "Hydrocinnamic acid" "HMDB0000764" "107" "C05629" "C1=CC=C(C=C1)CCC(=O)O" "1"
"4-AminoHippuricAcid" "4-Aminohippuric acid" "HMDB0001867" NA "D06890" NA "1"
"4-EthylPhenol" "4-Ethylphenol" "HMDB0029306" "31242" "C13637" "CCC1=CC=C(C=C1)O" "1"
"4-HydroxyphenylAceticAcid" "4-Hydroxyphenyl acetate" NA NA "C13636" NA "1"
"Dihydrothymine" "Dihydrothymine" "HMDB0000079" "93556" "C00906" "CC1CNC(=O)NC1=O" "1"
"5-AminoValericAcid" "5-Aminopentanoic acid" "HMDB0003355" "138" "C00431" "C(CCN)CC(=O)O" "1"
"7-Methylxanthine" "7-Methylxanthine" "HMDB0001991" "68374" "C16353" "CN1C=NC2=C1C(=O)NC(=O)N2" "1"
"Acetaminophen" "Acetaminophen" "HMDB0001859" "1983" "C06804" "CC(=O)NC1=CC=C(C=C1)O" "1"
"AceticAcid" "Acetic acid" "HMDB0000042" "176" "C00033" "CC(=O)O" "1"
"Acetoacetate" "Acetoacetic acid" "HMDB0000060" "96" "C00164" "CC(=O)CC(=O)O" "1"
"Acetone" "Acetone" "HMDB0001659" "180" "C00207" "CC(=O)C" "1"
"Adenine" "Adenine" "HMDB0000034" "190" "C00147" "C1=NC2=C(N1)C(=NC=N2)N" "1"
"Adenosine" "Adenosine" "HMDB0000050" "60961" "C00212" "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O" "1"
"AdipicAcid" "Adipic acid" "HMDB0000448" "196" "C06104" "C(CCC(=O)O)CC(=O)O" "1"
"ADP" "ADP" "HMDB0001341" "6022" "C00008" "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O" "1"
"Allantoin" "Allantoin" "HMDB0000462" "204" "C01551" "C1(C(=O)NC(=O)N1)NC(=O)N" "1"
"alpha-HydroxyisobutyricAcid" "Alpha-Hydroxyisobutyric acid" "HMDB0000729" "11671" NA "CC(C)(C(=O)O)O" "1"
"AMP" "Adenosine monophosphate" "HMDB0000045" "6083" "C00020" "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O" "1"
"ArgininosuccinicAcid" "Argininosuccinic acid" "HMDB0000052" "16950" "C03406" "C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O" "1"
"AscorbicAcid" "Ascorbic acid" "HMDB0000044" "54670067" "C01041" "C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O" "1"
"ATP" "Adenosine triphosphate" "HMDB0000538" "5957" "C00002" "C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O" "1"
"Azelaic Acid" "Azelaic acid" "HMDB0000784" "2266" "C08261" "C(CCCC(=O)O)CCCC(=O)O" "1"
"BenzoicAcid" "Benzoic acid" "HMDB0001870" "243" "C00539" "OC(=O)C1=CC=CC=C1" "1"
"Beta-Alanine" "Beta-Alanine" "HMDB0000056" "239" "C00099" "C(CN)C(=O)O" "1"
"beta-HydroxyisovalericAcid" "3-Hydroxyisovalerate" NA NA "C20827" NA "1"
"Betaine" "Betaine" "HMDB0000043" "247" "C00719" "C[N+](C)(C)CC(=O)[O-]" "1"
"Butyrate" "Butyric acid" "HMDB0000039" "264" "C00246" "CCCC(=O)O" "1"
"Cadaverine" "Cadaverine" "HMDB0002322" "273" "C01672" "C(CCN)CCN" "1"
"CDP" "CDP" "HMDB0001546" "6132" "C00112" "C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O" "1"
"CholineChloride" NA NA NA NA NA "0"
"CitraconicAcid" "Citraconate" NA NA "C02226" NA "1"
"Citrate" "Citric acid" "HMDB0000094" "311" "C00158" "C(C(=O)O)C(CC(=O)O)(C(=O)O)O" "1"
"CMP" "Cytidine monophosphate" "HMDB0000095" "8117" "C00055" "C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O" "1"
"Creatine" "Creatine" "HMDB0000064" "586" "C00300" "CN(CC(=O)O)C(=N)N" "1"
"Creatinine" "Creatinine" "HMDB0000562" "588" "C00791" "CN1CC(=O)N=C1N" "1"
"CTP" "Cytidine triphosphate" "HMDB0000082" "6176" "C00063" "C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O" "1"
"Cytosine" "Cytosine" "HMDB0000630" "597" "C00380" "C1=C(NC(=O)N=C1)N" "1"
"DehydroAscorbicAcid" "Dehydroascorbic acid" "HMDB0001264" "440667" "C05422" "C(C(C1C(=O)C(=O)C(=O)O1)O)O" "1"
"D-Fructose" "D-Fructose" "HMDB0000660" "439709" "C02336" "C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O" "1"
"D-Fucose" "D-Fucose" "HMDB0029196" "444200" "C01018" "C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O" "1"
"D-Galactose" "D-Galactose" "HMDB0000143" "439357" "C00984" "C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O" "1"
"D-GluconicAcid" "Gluconic acid" "HMDB0000625" "10690" "C00257" "C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O" "1"
"D-Glucose" "D-Glucose" "HMDB0000122" "5793" "C00221" "C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O" "1"
"D-Glucose-6-Phosphate" "D-Glucose 6-phosphate" NA NA "C00092" NA "1"
"D-GlucuronicAcid" "D-Glucuronic acid" "HMDB0000127" "94715" "C00191" "[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O" "1"
"Dimethylamine" "Dimethylamine" "HMDB0000087" "674" "C00543" "CNC" "1"
"Dimethylglycine" "Dimethylglycine" "HMDB0000092" "673" "C01026" "CN(C)CC(=O)O" "1"
"Dimethylsulfone" "Dimethyl sulfone" "HMDB0004983" "6213" "C11142" "CS(=O)(=O)C" "1"
"D-Maltose" "D-Maltose" "HMDB0000163" "10991489" "C00208" "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" "1"
"D-Mannose" "D-Mannose" "HMDB0000169" "18950" "C00936" "C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O" "1"
"D-Sorbitol" "Sorbitol" "HMDB0000247" "5780" "C00794" "C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O" "1"
"Ethanolamine" "Ethanolamine" "HMDB0000149" "700" "C00189" "C(CO)N" "1"
"EthylmalonicAcid" "Ethylmalonic acid" "HMDB0000622" "11756" NA "CCC(C(O)=O)C(O)=O" "1"
"Formate" "Formic acid" "HMDB0000142" "284" "C00058" "C(=O)O" "1"
"FumaricAcid" "Fumaric acid" "HMDB0000134" "444972" "C00122" "C(=C/C(=O)O)\C(=O)O" "1"
"GABA" "Gamma-Aminobutyric acid" "HMDB0000112" "223130" "C00334" "C(CC(=O)O)CN" "1"
"Galactitol" "Galactitol" "HMDB0000107" "11850" "C01697" "C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O" "1"
"GDP" "Guanosine diphosphate" "HMDB0001201" "8977" "C00035" "C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N" "1"
"GlutaconicAcid" "Glutaconic acid" "HMDB0000620" "5280498" "C02214" "C(/C=C/C(=O)O)C(=O)O" "1"
"GlutaricAcid" "Glutaric acid" "HMDB0000661" "743" "C00489" "C(CC(=O)O)CC(=O)O" "1"
"GlycericAcid" "Glyceric acid" "HMDB0000139" "439194" "C00258" "C([C@H](C(=O)O)O)O" "1"
"Glycerol" "Glycerol" "HMDB0000131" "753" "C00116" "C(C(CO)O)O" "1"
"Glycerophosphocholine" "Glycerophosphocholine" "HMDB0000086" "71920" "C00670" "C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O" "1"
"Glycogen" "Glycogen" "HMDB0000757" "439177" "C00182" "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O" "1"
"GlycolicAcid" "Glycolic acid" "HMDB0000115" "757" "C03547" "C(C(=O)O)O" "1"
"GlyoxylicAcid" "Glyoxylic acid" "HMDB0000119" "760" "C00048" "C(=O)C(=O)O" "1"
"GMP" "Guanosine monophosphate" "HMDB0001397" "6804" "C00144" "C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N" "1"
"GTP" "Guanosine triphosphate" "HMDB0001273" "6830" "C00044" "C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N" "1"
"GuanidinoaceticAcid" "Guanidoacetic acid" "HMDB0000128" "763" "C00581" "C(C(=O)O)N=C(N)N" "1"
"HippuricAcid" "Hippuric acid" "HMDB0000714" "464" "C01586" "C1=CC=C(C=C1)C(=O)NCC(=O)O" "1"
"HomovanillicAcid" "Homovanillic acid" "HMDB0000118" "1738" "C05582" "COC1=C(C=CC(=C1)CC(=O)O)O" "1"
"Hypotaurine" "Hypotaurine" "HMDB0000965" "107812" "C00519" "C(CS(=O)O)N" "1"
"Hypoxanthine" "Hypoxanthine" "HMDB0000157" "790" "C00262" "C1=NC2=C(N1)C(=O)N=CN2" "1"
"IMP" "Inosinic acid" "HMDB0000175" "8582" "C00130" "C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O" "1"
"Indoxylsulfate" "Indoxyl sulfate" "HMDB0000682" "10258" NA "C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O" "1"
"Inosine" "Inosine" "HMDB0000195" "6021" "C00294" "C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O" "1"
"Isobutyrate" "Isobutyric acid" "HMDB0001873" "6590" "C02632" "CC(C)C(=O)O" "1"
"IsocitricAcid" "Isocitric acid" "HMDB0000193" "1198" "C00311" "C(C(C(C(=O)O)O)C(=O)O)C(=O)O" "1"
"IsovalericAcid" "Isovalerate" "HMDB0000718" "10430" "C08262" "CC(C)CC(O)=O" "1"
"KynurenicAcid" "Kynurenic acid" "HMDB0000715" "3845" "C01717" "C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O" "1"
"Lactate" "L-Lactic acid" "HMDB0000190" "61503" "C00186" "C[C@@H](C(=O)O)O" "1"
"Lactose" "Lactose" "HMDB0041627" "6134" "C01970" "[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O" "1"
"L-Alanine" "L-Alanine" "HMDB0000161" "5950" "C00041" "C[C@@H](C(=O)O)N" "1"
"L-Anserine" "Anserine" "HMDB0000194" "112072" "C01262" "CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN" "1"
"L-Arabitol" "L-Arabitol" "HMDB0001851" "94154" "C00532" "C([C@@H](C([C@H](CO)O)O)O)O" "1"
"L-Arginine" "L-Arginine" "HMDB0000517" "6322" "C00062" "C(C[C@@H](C(=O)O)N)CN=C(N)N" "1"
"L-Asparagine" "L-Asparagine" "HMDB0000168" "6267" "C00152" "C([C@@H](C(=O)O)N)C(=O)N" "1"
"L-Aspartate" "L-Aspartic acid" "HMDB0000191" "5960" "C00049" "C([C@@H](C(=O)O)N)C(=O)O" "1"
"L-Carnitine" "L-Carnitine" "HMDB0000062" "2724480" "C00318" "C[N+](C)(C)C[C@H](CC(=O)[O-])O" "1"
"L-Carnosine" "Carnosine" "HMDB0000033" "439224" "C00386" "C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN" "1"
"L-Citrulline" "Citrulline" "HMDB0000904" "9750" "C00327" "C(C[C@@H](C(=O)O)N)CNC(=O)N" "1"
"L-Cysteine" "L-Cysteine" "HMDB0000574" "5862" "C00097" "C([C@@H](C(=O)O)N)S" "1"
"L-Cystine" "L-Cystine" "HMDB0000192" "67678" "C00491" "C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N" "1"
"LevulinicAcid" "Levulinic acid" "HMDB0000720" "11579" NA "CC(=O)CCC(=O)O" "1"
"L-GlutamicAcid" "L-Glutamic acid" "HMDB0000148" "33032" "C00025" "C(CC(=O)O)[C@@H](C(=O)O)N" "1"
"L-Glutamine" "L-Glutamine" "HMDB0000641" "5961" "C00064" "C(CC(=O)N)[C@@H](C(=O)O)N" "1"
"L-Glutathione-oxidized" "Oxidized glutathione" "HMDB0003337" "975" "C00127" "C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N" "1"
"L-Glutathione-reduced" "L-Glutathione-reduced" NA NA "C00051" NA "1"
"L-Glycine" "Glycine" "HMDB0000123" "750" "C00037" "NCC(O)=O" "1"
"L-Histidine" "L-Histidine" "HMDB0000177" "6274" "C00135" "C1=C(NC=N1)C[C@@H](C(=O)O)N" "1"
"L-Isoleucine" "L-Isoleucine" "HMDB0000172" "6306" "C00407" "CC[C@H](C)[C@@H](C(=O)O)N" "1"
"L-Leucine" "L-Leucine" "HMDB0000687" "6106" "C00123" "CC(C)C[C@@H](C(=O)O)N" "1"
"L-Lysine" "L-Lysine" "HMDB0000182" "5962" "C00047" "C(CCN)C[C@@H](C(=O)O)N" "1"
"L-Methionine" "L-Methionine" "HMDB0000696" "6137" "C00073" "CSCC[C@@H](C(=O)O)N" "1"
"L-Ornithine" "Ornithine" "HMDB0000214" "6262" "C00077" "C(C[C@@H](C(=O)O)N)CN" "1"
"L-Phenylalanine" "L-Phenylalanine" "HMDB0000159" "6140" "C00079" "C1=CC=C(C=C1)C[C@@H](C(=O)O)N" "1"
"L-Proline" "L-Proline" "HMDB0000162" "145742" "C00148" "C1C[C@H](NC1)C(=O)O" "1"
"L-Serine" "L-Serine" "HMDB0000187" "5951" "C00065" "C([C@@H](C(=O)O)N)O" "1"
"L-Threonine" "L-Threonine" "HMDB0000167" "6288" "C00188" "C[C@H]([C@@H](C(=O)O)N)O" "1"
"L-Tryptophane" "L-Tryptophan" "HMDB0000929" "6305" "C00078" "C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N" "1"
"L-Tyrosine" "L-Tyrosine" "HMDB0000158" "6057" "C00082" "C1=CC(=CC=C1C[C@@H](C(=O)O)N)O" "1"
"L-Valine" "L-Valine" "HMDB0000883" "6287" "C00183" "CC(C)[C@@H](C(=O)O)N" "1"
"MalicAcid" "Malic acid" "HMDB0000744" "525" "C03668" "C(C(C(=O)O)O)C(=O)O" "1"
"Malonate" "Malonate" NA "3673" "C00383" NA "1"
"MandelicAcid" "Mandelic acid" "HMDB0000703" "439616" "C01984" "C1=CC=C(C=C1)[C@@H](C(=O)O)O" "1"
"Methanol" "Methanol" "HMDB0001875" "887" "C00132" "CO" "1"
"Methylamine" "Methylamine" "HMDB0000164" "6329" "C00218" "CN" "1"
"Methylguanidine" "Methylguanidine" "HMDB0001522" "10111" "C02294" "CN=C(N)N" "1"
"MethylmalonicAcid" "Methylmalonic acid" "HMDB0000202" "487" "C02170" "CC(C(=O)O)C(=O)O" "1"
"Myo-Inositol" "myo-Inositol" "HMDB0000211" NA "C00137" "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O" "1"
"N-(2-Furoyl)Glycine" "2-Furoylglycine" "HMDB0000439" "21863" NA "C1=COC(=C1)C(=O)NCC(=O)O" "1"
"N-Acetylglycine" "Acetylglycine" "HMDB0000532" "10972" NA "CC(=O)NCC(=O)O" "1"
"N-Acetyl-L-AsparticAcid" "N-Acetyl-L-aspartic acid" "HMDB0000812" "65065" "C01042" "CC(=O)N[C@@H](CC(=O)O)C(=O)O" "1"
"NAD" "NAD" "HMDB0000902" "5893" "C00003" "C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N" "1"
"NADP" "NADP" "HMDB0000217" "5886" "C00006" "C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N" "1"
"NicotinicAcid" "Nicotinic acid" "HMDB0001488" "938" "C00253" "C1=CC(=CN=C1)C(=O)O" "1"
"NicotinuricAcid" "Nicotinuric acid" "HMDB0003269" "68499" "C05380" "C1=CC(=CN=C1)C(=O)NCC(=O)O" "1"
"O-Acetyl-L-Carnitine" "L-Acetylcarnitine" "HMDB0000201" "7045767" "C02571" "CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C" "1"
"Oxypurinol" "Oxypurinol" "HMDB0000786" "4644" "C07599" "C1=C2C(=NC(=O)NC2=O)NN1" "1"
"PantothenicAcid" "Pantothenic acid" "HMDB0000210" "6613" "C00864" "CC(C)(CO)C(C(=O)NCCC(=O)O)O" "1"
"Phenethylamine" "Phenylethylamine" "HMDB0012275" "1001" "C05332" "C1=CC=C(C=C1)CCN" "1"
"PhenylglyoxylicAcid" "Phenylglyoxylic acid" "HMDB0001587" "11915" "C02137" "OC(=O)C(=O)C1=CC=CC=C1" "1"
"Phosphocholine" "Phosphorylcholine" "HMDB0001565" "8691" "C00588" "C[N+](C)(C)CCOP(=O)(O)O" "1"
"PimelicAcid" "Pimelic acid" "HMDB0000857" "385" "C02656" "C(CCC(=O)O)CCC(=O)O" "1"
"Propionate" "Propionic acid" "HMDB0000237" "1032" "C00163" "CCC(=O)O" "1"
"PropyleneGlycol" "Propylene glycol" "HMDB0001881" "259994" "C02912" "C[C@@H](O)CO" "1"
"Pyrocatechol" "Pyrocatechol" "HMDB0000957" "3390" "C15571" "C1=CC=C(C(=C1)O)O" "1"
"PyroglutamicAcid" "Pyroglutamic acid" "HMDB0000267" "7405" "C01879" "C1CC(=O)N[C@@H]1C(=O)O" "1"
"Pyruvic-Acid" "Pyruvic acid" "HMDB0000243" "1060" "C00022" "CC(=O)C(=O)O" "1"
"SaccaricAcid" "Glucaric acid" "HMDB0000663" "33037" "C00818" "[C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O" "1"
"S-Acetamidomethylcysteine" NA NA NA NA NA "0"
"Sarcosine" "Sarcosine" "HMDB0000271" "1088" "C00213" "CNCC(=O)O" "1"
"SebacicAcid" "Sebacic acid" "HMDB0000792" "5192" "C08277" "C(CCCCC(=O)O)CCCC(=O)O" "1"
"Spermidine" "Spermidine" "HMDB0001257" "1102" "C00315" "C(CCNCCCN)CN" "1"
"Succinate" "Succinic acid" "HMDB0000254" "1110" "C00042" "C(CC(=O)O)C(=O)O" "1"
"SyringicAcid" "Syringic acid" "HMDB0002085" "10742" "C10833" "COC1=CC(=CC(=C1O)OC)C(=O)O" "1"
"TartaricAcid" "Tartaric acid" "HMDB0000956" "444305" "C00898" "O[C@H]([C@@H](O)C(O)=O)C(O)=O" "1"
"Taurine" "Taurine" "HMDB0000251" "1123" "C00245" "C(CS(=O)(=O)O)N" "1"
"Threitol" "D-Threitol" "HMDB0004136" "222285" "C16884" "C([C@H]([C@@H](CO)O)O)O" "1"
"ThreonicAcid" "Threonic acid" "HMDB0000943" "151152" "C01620" "C([C@H]([C@@H](C(=O)O)O)O)O" "1"
"TMAO" "Trimethylamine N-oxide" "HMDB0000925" "1145" "C01104" "C[N+](C)(C)[O-]" "1"
"trans-4-Hydroxy-L-Proline" "4-Hydroxyproline" "HMDB0000725" "5810" "C01157" "C1[C@H](CN[C@@H]1C(=O)O)O" "1"
"Trans-AcotinicAcid" "trans-Aconitic acid" "HMDB0000958" "444212" "C02341" "C(C(=CC(=O)O)C(=O)O)C(=O)O" "1"
"trans-FerulicAcid" "trans-Ferulic acid" "HMDB0000954" "445858" "C01494" "COC1=C(C=CC(=C1)/C=C/C(=O)O)O" "1"
"Trigonelline" "Trigonelline" "HMDB0000875" "5570" "C01004" "C[N+]1=CC=CC(=C1)C(=O)[O-]" "1"
"Trimethylamine" "Trimethylamine" "HMDB0000906" "1146" "C00565" "CN(C)C" "1"
"UDP" "Uridine 5'-diphosphate" "HMDB0000295" "6031" "C00015" "C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O" "1"
"UDPG" "Uridine diphosphate glucose" "HMDB0000286" "53477679" "C00029" "C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O" "1"
"UMP" "Uridine 5'-monophosphate" "HMDB0000288" "6030" "C00105" "C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O" "1"
"Uracil" "Uracil" "HMDB0000300" "1174" "C00106" "C1=CNC(=O)NC1=O" "1"
"Uridine" "Uridine" "HMDB0000296" "6029" "C00299" "C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O" "1"
"UrocanicAcid" "Urocanic acid" "HMDB0000301" "736715" "C00785" "C1=C(NC=N1)/C=C/C(=O)O" "1"
"UTP" "Uridine triphosphate" "HMDB0000285" "6133" "C00075" "C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O" "1"
"Valerate" "Valeric acid" "HMDB0000892" "7991" "C00803" "CCCCC(=O)O" "1"
"VanillicAcid" "Vanillic acid" "HMDB0000484" "8468" "C06672" "COC1=C(C=CC(=C1)C(=O)O)O" "1"
"Xylitol" "D-Xylitol" "HMDB0002917" "6912" "C00379" "C([C@H](C([C@H](CO)O)O)O)O" "1"
"Putrescine" "Putrescine" "HMDB0001414" "1045" "C00134" "C(CCN)CN" "1"
"2-PhosphoglycericAcid" "2-Phosphoglyceric acid" "HMDB0000362" "59" NA "OCC(OP(O)(O)=O)C(O)=O" "1"
"3-PhosphoglycericAcid" "3-Phosphoglyceric acid" "HMDB0000807" "724" "C00597" "OC(COP(O)(O)=O)C(O)=O" "1"
"beta-Carotene" "beta-Carotene" "HMDB0000561" "5280489" "C02094" "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C" "1"
"Biliverdin" "Biliverdin" "HMDB0001008" "5353439" "C00500" "CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O" "1"
"Canthaxanthin" "Canthaxanthin" "HMDB0003154" "5281227" "C08583" "C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C" "1"
"Chlorophyll-a" "Chlorophyll-a" "HMDB0038578" "12085802" "C05306" "CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(N34)N3C(=CC1=[N+]25)C(C)=C1C(=O)[C@H](C(=O)OC)C6=C31" "1"
"Coenzyme-Q10" "Coenzyme-Q10" NA NA "C11378" "NA" "1"
"D-Galactosamine" "D-Galactosamine" NA "3034366" "C02262" NA "1"
"D-GalacturonicAcid" "D-Galacturonic acid" "HMDB0002545" "84740" "C00333" "O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O" "1"
"D-Glucosamine" "D-Glucosamine" "HMDB0001514" "439213" "C00329" "N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O" "1"
"Dihydroxyacetone-phosphate" "Dihydroxyacetone-phosphate" "HMDB0001473" "668" "C00111" "OCC(=O)COP(O)(O)=O" "1"
"DocosahexaenoicAcid" "Docosahexaenoic acid" "HMDB0002183" "445580" "C06429" "CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O" "1"
"D-Ribose" "D-Ribose" "HMDB0000283" "5779" "C00121" "OC[C@H]1OC(O)[C@H](O)[C@@H]1O" "1"
"D-Ribulose-1,5-bisphosphate" "D-Ribulose-1,5-bisphosphate" NA "123658" "C01182" NA "1"
"D-Xylose" "D-Xylose" "HMDB0000098" "135191" "C00181" "O[C@@H]1COC(O)[C@H](O)[C@H]1O" "1"
"gamma-LinolenicAcid" "gamma-Linolenic acid" "HMDB0003073" "5280933" "C06426" "CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O" "1"
"L-Arabinose" "L-Arabinose" "HMDB0000646" "439764" "C00259" "O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O" "1"
"LinoleicAcid" "Linoleic acid" "HMDB0000673" "5280450" "C01595" "CCCCC\C=C/C\C=C/CCCCCCCC(O)=O" "1"
"L-Rhamnose" "L-Rhamnose" "HMDB0000849" "25310" "C00507" "C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O" "1"
"N-AcetylneuraminicAcid" "N-Acetylneuraminic acid" "HMDB0000230" "445063" "C00270" "[H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO" "1"
"OleicAcid" "Oleic acid" "HMDB0000207" "445639" "C00712" "CCCCCCCC\C=C/CCCCCCCC(O)=O" "1"
"Phosphoenolpyruvate" "Phosphoenolpyruvate" "HMDB0000263" "1005" "C00074" "OC(=O)C(=C)OP(O)(O)=O" "1"
"PhosphoglycolicAcid" "Phosphoglycolic acid" "HMDB0000816" "529" "C00988" "OC(=O)COP(O)(O)=O" "1"
"Retinal" "Retinal" "HMDB0001358" "638015" "C00376" "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O" "1"
"StearicAcid" "Stearic acid" "HMDB0000827" "5281" "C01530" "CCCCCCCCCCCCCCCCCC(O)=O" "1"
