Metabolite IDMetabolite NameMolecular FormulaAverage MassStructure
BASm0000210alpha-amyrinC30H50O426.729
BASm0000219beta-amyrinC30H50O426.7174
BASm0008286chondrochloren AC27H40ClNO7526.07
BASm0008287chondrochloren BC28H42ClNO7540.09
BASm0008491(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-oneC22H44O6404.588
BASm000907610-epi-juneolC15H26O222.3663
BASm0009128(+)-(2S,3R,9R)-pristinolC15H26O222.372
BASm0009190alpha-onocerinC30H50O2442.728
BASm0009191pre-alpha-onocerinC30H50O2442.718
BASm0009241a (3R,4R)-3-[(1S)-1-hydroxyalkyl]-4-(hydroxymethyl)oxolan-2-oneNot AvailableNot Available
BASm00093389beta-pimara-7,15-diene-3beta-olC20H32O288.475
BASm0009339ent-cassa-12,15-dien-2beta-olC20H32O288.468
BASm0009340ent-cassa-12,15-dien-2beta,3beta-olC20H32O2304.468
BASm0009342ent-3beta-hydroxycassa-12,15-dien-2-oneC20H30O2302.452
BASm000934411-hydroxycucurbitadienolC30H50O2442.718
BASm000934511-oxocucurbitadienolC30H48O2440.702
BASm00096074'-hydroxyechinenoneC40H54O2566.87
BASm0009679cyclooctat-9-ene-5,7-diolC20H34O2306.49
BASm00098372beta-hydroxy-5-epi-aristolocheneC15H24O220.351
BASm0010444(S)-4,5-dihydroxy-2-oxopentanalC5H8O4132.115
BASm00105885,6-trans-vitamin D3C27H44O384.6377
BASm0010716pravastatin diol lactoneC18H26O5322.401
BASm0010744monapinone EC23H30O8434.485
BASm00107942,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-oneC17H16O7332.308
BASm0010979deacetylpyripyropene EC25H31NO4409.526
BASm0011013(3R)-3,8,9,10-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracen-1-oneC15H14O5274.272
BASm0011078aculene DC14H20O2220.312
BASm0011080aculene CC14H18O2218.296
BASm0011101diphenylmethanolC13H12O184.238
BASm0000427loganinC17H26O10Not Available
BASm0000440sulcatolC8H16O128.212
BASm00007829H-fluoren-9-olC13H10O182.2179
BASm00008915-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiopheneC14H12O3S2292.37
BASm0011725(+)-penichrysolC20H34O290.491
BASm0001093propan-2-olC3H8O60.095
BASm0001186cyclohexanolC6H12O100.1589
BASm00012494-hydroxyhexan-3-oneC6H12O2116.1583
BASm00012841,3-dinitroglycerolC3H6N2O7182.088
BASm00120512alpha-hydroxytaxusinC28H40O9520.619
BASm00012851-nitroglycerolC3H7NO5137.091
BASm001225617alpha-hydroxywithaferin AC28H38O7486.605
BASm001225717alpha-sitoindoside IXNot AvailableNot Available
BASm001226027-hydroxywithanoneC28H38O7486.605
BASm00122625alpha,6beta,17alpha,27-tetrahydroxywithanolideNot AvailableNot Available
BASm00122635alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucosideNot AvailableNot Available
BASm00123365-dehydro-6-demethoxy-6-hydroxyfumagillolNot AvailableNot Available
BASm0012573orobancholC19H22O6346.379
BASm0012576orobanchol ABC-ringsC14H18O4250.294
BASm00126113-decanolC10H22O158.285
BASm00126125-dodecanolC12H26O186.339
BASm00126231,7-decanediolC10H22O2174.284
BASm00126253-aminobutan-2-olNot AvailableNot Available
BASm00126662-aminocyclohexanolNot AvailableNot Available
BASm00126694-hydroxyhexan-3-amineNot AvailableNot Available
BASm00126705-hydroxyoctan-4-amineNot AvailableNot Available
BASm0001424cycloheximideC15H23NO4281.1627
BASm0001634calciolC27H44O384.6377
BASm0013225fumagillolC16H26O4282.38
BASm000189916alpha,17beta-dihydroxyandrost-4-en-3-oneC19H28O3304.43
BASm0001909compactin diol lactoneC18H26O4306.402
BASm0001957butan-2-olC4H10O74.1216
BASm0002019a 3alpha-hydroxysteroidNot AvailableNot Available
BASm0002020a 3beta-hydroxysteroidNot AvailableNot Available
BASm0000129eupatolideC15H20O3248.322
BASm0002359dihydrocarveolC10H18O154.253
BASm0004081solavetivolC15H24O220.356
BASm0004261isomultiflorenolC30H50O426.7174
BASm0004274dammarenediol-IIC30H52O2444.3967
BASm0004275arabidiolC30H52O2444.744
BASm0004291camelliol CC30H50O426.7174
BASm0004292germanicolC30H50O426.3862
BASm0004295sophoradiolC30H50O2442.728
BASm0004350lupan-3beta,20-diolC30H52O2444.744
BASm000440011alpha-hydroxy-beta-amyrinC30H50O2442.728
BASm0004457glutinolC30H50O426.729
BASm0004459alpha-seco-amyrinC30H50O426.729
BASm0004461beta-seco-amyrinC30H50O426.729
BASm0004462delta-amyrinC30H50O426.729
BASm0004477ent-11beta-hydroxycassa-12,15-dieneC20H32O288.4675
BASm00044807beta-hydroxytaxusinC28H40O9520.6118
BASm0004497avermitilolC15H26O222.372
BASm0004505baruolC30H50O426.729
BASm000452010-hydroxy-alpha-humuleneC15H24O220.3505
BASm0004521(+)-thujan-3-olC10H18O154.2493
BASm00047322-hydroxyoctadecanalC18H36O2284.484
BASm0000150lupeolC30H50O426.729
BASm0004867erythrodiolC30H50O2442.728
BASm00050134'-methoxyisoflavan-2',4,7-triolC16H16O5288.299
BASm0005138kunzeaolC15H26O222.372
BASm00000345beta-dihydrocortisolC21H32O5364.4758
BASm0005214O-methyl gibberellin A1C20H26O6362.4168
BASm0005217O-methyl gibberellin A3C20H24O6360.406
BASm0006481cyclooctatinC20H34O3322.489
BASm0006688monacolin JC19H28O4320.429
BASm0006727all-trans-adonixanthinC40H54O3582.869
BASm0006807(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-olC20H34O290.491
BASm0006811oleanolic aldehydeC30H48O2440.7009
BASm0000180previtamin D3C27H44O384.6377
BASm0007243(4R)-ipsdienolC10H16O152.24
BASm00072742-glyceryl-prostaglandin H2C23H38O7426.55
BASm00073854-hydroxy-6-(2-hydroxytridecyl)-pyran-2-oneC18H30O4310.434
BASm00073864-hydroxy-6-(11-hydroxyheptadecyl)-pyran-2-oneC22H38O4366.542
BASm00073964-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-oneC24H40O5408.579
BASm0007407trans-4-hydroxy-L-proline betaineC7H13NO3159.183
BASm0007408cis-4-hydroxy-D-proline betaineC7H13NO3159.183
BASm00076181alpha,2beta,25-trihydroxycholecalciferolC27H44O4432.6359
BASm00076506alpha-hydroxyestroneC18H22O3286.371
BASm0007752hydroxysqualeneC30H50O426.729
BASm0007798hexan-2-olC6H14O102.1748
BASm0007803hexan-3-olC6H14O102.1748
BASm0007850prostaglandin F2alpha 1-glyceryl esterC23H40O7428.566
BASm00079513,4-dihydroxy-2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxideC25H35NO3397.551

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