Metabolite IDMetabolite NameMolecular FormulaAverage MassStructure
BASm00002522-hydroxyglutarateC5H8O5148.11
BASm0008162(-)-dehydrodiconiferyl acid carboxylateC20H18O8386.356
BASm0008163(+)-dehydrodiconiferyl acid carboxylateC20H18O8386.356
BASm0008176(1R,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylateC14H12N2O4272.261
BASm0008177(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylateC14H12N2O4272.26
BASm0008180(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylateC14H10N2O4270.244
BASm00081815,10-dihydrophenazine-1,6-dicarboxylateC14H10N2O4270.244
BASm0008182phenazine-1,6-dicarboxylateC14H8N2O4268.2243
BASm00084082-[(2'-methylsulfanyl)ethyl]malateC7H10O5S206.21
BASm00084093-[(2'-methylsulfanyl)ethyl]malateC7H10O5S206.21
BASm00084112-[(2'-methylsulfanyl)ethyl]maleateC7H8O4S188.2
BASm0008471chromopyrrolateC22H15N3O4385.3722
BASm0008712mycobilin aC34H32N4O7608.652
BASm0008713mycobilin bC34H32N4O7608.652
BASm0008714biliverdin IXbetaC33H32N4O6580.642
BASm0008849hyodeoxycholate 6-O-(beta-D-glucuronate)C30H48O10568.704
BASm0008850hyocholate 6-O-(beta-D-glucuronate)C30H48O11584.703
BASm00088585alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronate]C31H46O14642.695
BASm0008865lithocholoyl-3-O-(beta-D-glucuronate)C30H48O9552.705
BASm0009166N-(4-oxoglutaryl)-L-cysteinylglycineC10H14N2O7S306.292
BASm00092134,4'-disulfanyldibutanoateC8H12O4S2236.3
BASm0000293citramalateC5H8O5148.114
BASm0009569gypsogenateC30H46O5486.693
BASm0009674alpha-D-galacturonosyl-(1->4)-D-galacturonateC12H16O13368.248
BASm00097265,5'-dehydrodivanillateC16H14O8334.28
BASm00097272,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenylC15H12O8320.253
BASm0009729(E)-2-((N-methylformamido) methylene)succinateC7H7NO5185.136
BASm0010356gibberellin A53C20H28O5348.43
BASm0010357gibberellin A44C20H26O6362.423
BASm0010358gibberellin A15C20H26O5346.424
BASm0010359gibberellin A24C20H24O5344.408
BASm0010363gibberellin A14C20H26O5346.424
BASm0010468N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycineC11H14N2O7286.241
BASm00110022-carboxy-L-lyxonateC6H8O8208.023
BASm0000314acetylenedicarboxylateC4H2O4114.056
BASm00003793-propylmalateC7H10O5174.1513
BASm00004283-oxoadipateC6H6O5158.11
BASm0000656galactarateC6H10O8210.1388
BASm001135116alpha-hydroxygypsogenateNot AvailableNot Available
BASm0011414(2S)-2-[5-amino-1-(beta-D-ribosyl)imidazole-4-carboxamido]succinateC13H18N4O9374.306
BASm0011498(2S,4S)-4-hydroxy-4-methylglutamateC6H10NO5176.149
BASm0011501(2S,4R)-4-hydroxy-4-methylglutamateC6H10NO5176.149
BASm0000772N-malonylanthranilateC10H9NO5223.1822
BASm0000786N-formyl-L-aspartateC5H7NO5161.113
BASm0000794N-acetyl-L-aspartateC6H9NO5175.1394
BASm0000837dimethylmaleateC6H6O4142.111
BASm0000886(2S)-2-isopropyl-3-oxosuccinateC7H10O5174.1513
BASm0000894itaconateC5H6O4130.0987
BASm0011577(2S)-2-amino-2'-deoxyadenylo-succinateC14H15N6O10P458.282
BASm00009263-hydroxy-3-methylglutarateC6H10O5162.1406
BASm0000976enol-oxaloacetateC4H2O5130.056
BASm0000985an N-acyl-D-glutamateNot AvailableNot Available
BASm0001003phthalateC8H4O4164.117
BASm0001011an N-(long-chain-fatty-acyl)-L-glutamateNot AvailableNot Available
BASm0001036hydroxymalonateC3H2O5118.045
BASm0001043N-formyl-L-glutamateC6H9NO5175.1394
BASm00011654-fumarylacetoacetateC8H8O6200.1455
BASm00012442-succinylbenzoateC11H8O5220.181
BASm0011894phenylsuccinateNot AvailableNot Available
BASm0011896(S)-2-benzylsuccinateC11H12O4208.2106
BASm0011899(2-aminophenyl)succinateNot AvailableNot Available
BASm00120973-hydroxyglutarateC5H6O5146.099
BASm00120982,2-dimethylsuccinateC6H10O4146.0579
BASm00120992,3-dimethylsuccinateC6H8O4144.127
BASm0012312(6S)-6-amino-3,3-dimethyl-2-oxoheptanedioateNot AvailableNot Available
BASm00012942-(acetamidomethylene)-3-(hydroxymethyl)succinateC8H9NO6215.1602
BASm00125343-carboxy-4-methyl-5-propyl-2-furanpropanoateNot AvailableNot Available
BASm0012579N-acetyl-D-glutamateC7H11NO5189.1659
BASm0012583N-acetyl-D-aspartateC6H9NO5175.0481
BASm0012684N-pyruvoyl-L-glutamateNot AvailableNot Available
BASm0012813(2S)-2-[(E)-{[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylidene}amino]pentanedioateNot AvailableNot Available
BASm0012834urobilinogenC33H44N4O6592.3261
BASm0012925(4Z,15Z)-mesobilirubin IXalphaNot AvailableNot Available
BASm0012930(4Z,15Z)-bilirubin IXalpha C8-beta-D-glucuronosideC39H44N4O12760.7863
BASm0012931(4Z,15Z)-bilirubin IXalpha C12-beta-D-glucuronosideNot AvailableNot Available
BASm0012932(4Z,15Z)-bilirubin IXalpha C8,C12-beta-D-bisglucuronosideC45H52N4O18936.921
BASm00016443-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoateC10H12O6228.2
BASm0001715isochorismateC10H8O6224.169
BASm0001744succinateC4H6O4118.088
BASm0001749terephthalateC8H4O4164.1161
BASm0001767oxalateC2O488.019
BASm00017692-methylmaleateC5H6O4130.1
BASm0001773isophthalateC8H6O4166.0266
BASm0001784glutarateC5H8O4132.1146
BASm0001971heptanedioateC7H10O4158.154
BASm0002023mesaconateC5H6O4130.0987
BASm00021245-dehydro-4-deoxy-D-glucarateC6H6O7190.1076
BASm0002145N-acetyl-L-glutamateC7H11NO5189.1659
BASm0002391methotrexateC20H22N8O5454.1713
BASm0002673(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylateC8H6O6198.131
BASm0002681(2R,3S)-2,3-dimethylmalateC6H8O5160.126
BASm0002682(R)-2-ethylmalateC6H10O5162.1406
BASm0002683(R)-3,3-dimethylmalateC6H8O5160.1247
BASm00026843-ethylmalateC6H10O5162.141
BASm0002685sinapoyl (S)-malateC15H14O9338.0649
BASm0002696(2R,3Z)-phycocyanobilinC33H36N4O6584.674
BASm0002697(3Z)-phycoerythrobilinC33H36N4O6584.674
BASm0002698(3Z)-phytochromobilinC33H36N4O6584.673
BASm00027107,8-dihydrofolateC19H19N7O6441.405
BASm000271110-formyldihydrofolateC20H21N7O7471.1502
BASm0002712(6S)-5,6,7,8-tetrahydrofolateC19H23N7O6445.4292
BASm00027145-formimidoyltetrahydrofolateC20H24N8O6472.4546
BASm0002715(6S)-5-formyl-5,6,7,8-tetrahydrofolateC20H21N7O7471.431
BASm0002725(E)-2-(methoxycarbonylmethyl)but-2-enedioateC7H6O6186.12
BASm0002726(E)-3-(methoxycarbonyl)pent-2-enedioateC7H6O6186.1189
BASm0002761an N-acyl-D-aspartateNot AvailableNot Available
BASm0002763deoxylimononate D-ring-lactoneC26H32O9488.5269
BASm0002778(7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanateC16H18N2O9S414.387
BASm00027842-aryl-2-methylmalonateNot AvailableNot Available
BASm0002789N(2)-malonyl-D-tryptophanC14H14N2O5290.0903
BASm0002797trans-2,3-epoxysuccinateC4H2O5130.0557
BASm0002803N(6)-(1,2-dicarboxyethyl)-AMPC14H18N5O11P463.2934
BASm00028342-benzylsuccinateC11H10O4206.198
BASm00028452-methylene-3-methylsuccinateC6H6O4142.111
BASm0002880(E)-sinapoyltartronateC14H12O9324.2397
BASm00028952-(acetamidomethylene)succinateC7H7NO5185.136
BASm00029072-hydroxy-3-oxoadipateC6H6O6174.109
BASm0002944limonoateC26H32O10504.5263
BASm0002947(4E,15E)-bilirubin IXalpha C8-beta-D-glucuronosideC39H44N4O12760.7863
BASm00029805,10-methylenetetrahydromethanopterinC31H45N6O16P788.6934
BASm00030145-(3-carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylateC10H7NO7253.166
BASm0003102(4Z,15Z)-bilirubin IXalphaC33H36N4O6584.673
BASm00031042-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoateC7H4O6184.104
BASm00031092-hydroxyadipateC6H8O5160.126
BASm0003112biliverdin IXalphaC33H32N4O6580.642
BASm00031191-carboxyvinyl carboxyphosphonateC4H5O7P196.051
BASm0003138N(5)-formyl-5,6,7,8-tetrahydromethanopterinC31H42N6O17P801.677
BASm00031472-hydroxy-5-carboxymethylmuconate semialdehydeC8H6O6198.131
BASm00031644,5-dihydroxyphthalateC8H4O6196.115
BASm00031682-methyleneglutarateC6H6O4142.111
BASm00031862-isopropylmaleateC7H10O4158.1519
BASm00032005,6,7,8-tetrahydromethanopterinC30H45N6O16P776.6827
BASm00032075-methyl-5,6,7,8-tetrahydromethanopterinC31H44N6O16P787.694
BASm0003208L-2-acetamido-6-oxoheptanedioateC9H11NO6229.189
BASm00032253,4-dihydroxyphthalateC8H4O6196.1138
BASm00032432-O-caffeoylglucarateC15H14O11370.2651
BASm00033002-(beta-D-glucuronosyl)-D-glucuronateC12H16O13368.2476
BASm0003304cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylateC8H6O6198.131
BASm00033572-oxo-2H-pyran-4,6-dicarboxylateC7H2O6182.088
BASm00033825,10-methenyl-5,6,7,8-tetrahydromethanopterinC31H44N6O16P787.6854
BASm00033872-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioateC7H6O6186.119
BASm00033964-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehydeC7H4O6184.104
BASm0003462(2S)-2-[5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinateC13H19N4O12P454.2833
BASm0003486bilirubin IXalpha bis-beta-D-glucuronosideC45H52N4O18936.921
BASm0003506an N-acyl-L-aspartateNot AvailableNot Available
BASm0003515(2R,3S)-3-methylmalateC5H8O5148.114
BASm0003521N-succinyl-L-glutamate 5-semialdehydeC9H13NO6231.0743
BASm0003539alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A (E. coli)C110H196N2O39P22232.704
BASm0003595gibberellin A12C20H26O4330.425
BASm0003631(1R,6R)-6-hydroxy-2-succinyl-cyclohexa-2,4-diene-1-carboxylateC11H10O6238.196
BASm0003633(R)-2-benzylsuccinateC11H12O4208.2106
BASm0003634(7R)-7-(4-carboxybutanamido)cephalosporanateC15H18N2O8S386.377
BASm0003700(R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoateC7H4O6184.104
BASm00037052-formylglutarateC6H8O5160.125
BASm00037172-O-[(E)-sinapoyl]-D-glucarateC17H18O12414.3176
BASm00037493-carboxy-2-oxobutanoateC5H4O5144.0823
BASm0003759N(2)-succinyl-L-citrullineC10H17N3O6275.261
BASm00037872-O-[(E)-feruloyl]-D-galactarateC16H18O11386.0849
BASm0003830dichlorochromopyrrolateC22H11Cl2N3O4452.25
BASm0003886oxidized coenzyme F420-1C24H25N4O15P640.453
BASm00039594-(4-deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonateC12H14O12350.2324
BASm0003971heme bC34H32FeN4O4616.487
BASm0004033N-(4-aminobenzoyl)-L-glutamateC12H12N2O5264.2341
BASm0004169oxidized dinoflagellate luciferinC33H36N4O7600.6615
BASm0004171chlorophyll bC55H69MgN4O6906.4646
BASm00042004-carboxy-2-hydroxymuconate semialdehyde hemiacetalC7H6O6186.119
BASm0004306folateC19H19N7O6441.3975
BASm0004355aminodiacetateC4H6NO4132.096
BASm0004372heme d cis-diolC34H32FeN4O6648.486
BASm0004508pemetrexedC20H21N5O6427.1492
BASm00047944-nitro-6-oxohepta-2,4-dienedioateC7H3NO7213.1012
BASm0004830(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinateC7H7NO5185.136
BASm0005079salvianinC42H41O24929.765
BASm00051984-hydroxy-2-oxoheptanedioateC7H8O6188.136
BASm0005435delta-staphylobilinC33H32N4O7596.641
BASm0005436beta-staphylobilinC33H32N4O7596.641
BASm0005837tetradecanedioateC14H26O4258.3538
BASm0005839decanedioateC10H18O4202.2475
BASm00060353-[(1-carboxyvinyl)-oxy]benzoateC10H6O5206.154
BASm0006215isonocardicin AC23H24N4O9500.464
BASm0006226nocardicin AC23H24N4O9500.464
BASm0006402nonanedioateC9H16O4188.2209
BASm00069142,5-dicarboxyfuranC6H4O5156.0059
BASm0007311(Kdo)2-lipid A 1-diphosphateC110H196N2O42P32311.675
BASm0007312(2R,3E)-phycocyanobilinC33H36N4O6584.674
BASm0007313(2R,3E)-phycoerythrobilinC33H36N4O6584.674
BASm0007635(4Z)-2-oxohept-4-enedioateC7H6O5170.121
BASm00077013-methylmalateC5H8O5148.114
BASm000792920-carboxy-leukotriene B4C20H28O6364.433

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