Exact Mass: 478.2202714
Exact Mass Matches: 478.2202714
Found 500 metabolites which its exact mass value is equals to given mass value 478.2202714
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CID 441784
2-Methoxy-estradiol-17b 3-glucuronide
2-Methoxy-estradiol-17beta 3-glucuronide is a natural human metabolite of 2-Methoxy-estradiol-17beta generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 2-Methoxy-estradiol-17beta 3-glucuronide is a natural human metabolite of 2-Methoxy-estradiol-17beta generated in the liver by UDP glucuonyltransferase.
4-Hydroxyandrostenedione glucuronide
4-Hydroxyandrostenedione glucuronide is a natural human metabolite of 4-Hydroxyandrostenedione generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
D-Phe-L-Pro-L-Arg-(Chloromethyl) ketone
9-hydroxylinalyl 3-O-(4-O-coumaroyl)-beta-D-glucopyranoside
9alpha-isobutyryloxy-4beta,15-epoxyrepandanolide-8-O-angelate
(11alpha,12beta,13S)-11,12-bis(acetoxy)-13-hydroxy-2-methoxypicras-2-ene-1,16-dione|Kusulactone|picraqualide B
1alpha,6alpha-diacetoxy-5alpha,7beta-dihydroxy-12alpha-methoxycassa-14(17),13(15)-dien-16,12-olide|caesalpin H
9alpha-angeloyloxycalostephanolide-8-O-<2R,3R-epoxy-2-methyl-butyrate>
6,6-dimethoxy-2,2,2,2-tetramethyl-2H,2H-[5,5]bi[benzo[h]chromenyl]|Tectol-dimethylether|Tectoldimethylether
5-(5-hydroxytigloyloxy)-5-hydroxyhehiangine|5-<5-hydroxytigloyloxy>-5-hydroxyhehiangine
(2R*,3S*,4R*,6R*,7R*,8R*,10R*,11R*,14S*)-9-hydroxy-14-(3-hydroxy-3-methylbutanoyloxy)-3-(2-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
3beta-hydroxy-8beta-<5-hydroxy-4-(2-hydroxyisovaleroyloxy)tigloyloxy>costunolide|3beta-hydroxy-8beta-[5-hydroxy-4-(2-hydroxyisovaleroyloxy)tigloyloxy]costunolide
(2R*,3S*,4R*,6R*,7R*,8R*,10R*,11R*,14S*)-9-hydroxy-14-(3-hydroxy-2-methylbutanoyloxy)-3-(2-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Ala Phe Asn Gln
Ala Phe Gln Asn
Ala Asn Phe Gln
Ala Asn Gln Phe
Ala Gln Phe Asn
Ala Gln Asn Phe
Cys Phe Ile Pro
C23H34N4O5S (478.22497940000005)
Cys Phe Leu Pro
C23H34N4O5S (478.22497940000005)
Cys Phe Pro Ile
C23H34N4O5S (478.22497940000005)
Cys Phe Pro Leu
C23H34N4O5S (478.22497940000005)
Cys Ile Phe Pro
C23H34N4O5S (478.22497940000005)
Cys Ile Ile Met
Cys Ile Leu Met
Cys Ile Met Ile
Cys Ile Met Leu
Cys Ile Pro Phe
C23H34N4O5S (478.22497940000005)
Cys Lys Gln Thr
C18H34N6O7S (478.22095740000003)
Cys Lys Thr Gln
C18H34N6O7S (478.22095740000003)
Cys Leu Phe Pro
C23H34N4O5S (478.22497940000005)
Cys Leu Ile Met
Cys Leu Leu Met
Cys Leu Met Ile
Cys Leu Met Leu
Cys Leu Pro Phe
C23H34N4O5S (478.22497940000005)
Cys Met Ile Ile
Cys Met Ile Leu
Cys Met Leu Ile
Cys Met Leu Leu
Cys Pro Phe Ile
C23H34N4O5S (478.22497940000005)
Cys Pro Phe Leu
C23H34N4O5S (478.22497940000005)
Cys Pro Ile Phe
C23H34N4O5S (478.22497940000005)
Cys Pro Leu Phe
C23H34N4O5S (478.22497940000005)
Cys Gln Lys Thr
C18H34N6O7S (478.22095740000003)
Cys Gln Thr Lys
C18H34N6O7S (478.22095740000003)
Cys Thr Lys Gln
C18H34N6O7S (478.22095740000003)
Cys Thr Gln Lys
C18H34N6O7S (478.22095740000003)
Asp Ile Met Thr
Asp Ile Thr Met
Asp Leu Met Thr
Asp Leu Thr Met
Asp Met Ile Thr
Asp Met Leu Thr
Asp Met Thr Ile
Asp Met Thr Leu
Asp Thr Ile Met
Asp Thr Leu Met
Asp Thr Met Ile
Asp Thr Met Leu
Glu His Pro Pro
Glu Ile Met Ser
Glu Ile Ser Met
Glu Leu Met Ser
Glu Leu Ser Met
Glu Met Ile Ser
Glu Met Leu Ser
Glu Met Ser Ile
Glu Met Ser Leu
Glu Met Thr Val
Glu Met Val Thr
Glu Pro His Pro
Glu Pro Pro His
Glu Ser Ile Met
Glu Ser Leu Met
Glu Ser Met Ile
Glu Ser Met Leu
Glu Thr Met Val
Glu Thr Val Met
Glu Val Met Thr
Glu Val Thr Met
Phe Ala Asn Gln
Phe Ala Gln Asn
Phe Cys Ile Pro
C23H34N4O5S (478.22497940000005)
Phe Cys Leu Pro
C23H34N4O5S (478.22497940000005)
Phe Cys Pro Ile
C23H34N4O5S (478.22497940000005)
Phe Cys Pro Leu
C23H34N4O5S (478.22497940000005)
Phe Gly Gln Gln
Phe Ile Cys Pro
C23H34N4O5S (478.22497940000005)
Phe Ile Pro Cys
C23H34N4O5S (478.22497940000005)
Phe Leu Cys Pro
C23H34N4O5S (478.22497940000005)
Phe Leu Pro Cys
C23H34N4O5S (478.22497940000005)
Phe Asn Ala Gln
Phe Asn Gln Ala
Phe Pro Cys Ile
C23H34N4O5S (478.22497940000005)
Phe Pro Cys Leu
C23H34N4O5S (478.22497940000005)
Phe Pro Ile Cys
C23H34N4O5S (478.22497940000005)
Phe Pro Leu Cys
C23H34N4O5S (478.22497940000005)
Phe Gln Ala Asn
Phe Gln Gly Gln
Phe Gln Asn Ala
Phe Gln Gln Gly
Gly Phe Gln Gln
Gly Gln Phe Gln
Gly Gln Gln Phe
His Glu Pro Pro
His His Ser Val
His His Val Ser
His Pro Glu Pro
His Pro Pro Glu
His Ser His Val
His Ser Val His
His Val His Ser
His Val Ser His
Ile Cys Phe Pro
C23H34N4O5S (478.22497940000005)
Ile Cys Ile Met
Ile Cys Leu Met
Ile Cys Met Ile
Ile Cys Met Leu
Ile Cys Pro Phe
C23H34N4O5S (478.22497940000005)
Ile Asp Met Thr
Ile Asp Thr Met
Ile Glu Met Ser
Ile Glu Ser Met
Ile Phe Cys Pro
C23H34N4O5S (478.22497940000005)
Ile Phe Pro Cys
C23H34N4O5S (478.22497940000005)
Ile Ile Cys Met
Ile Ile Met Cys
Ile Leu Cys Met
Ile Leu Met Cys
Ile Met Cys Ile
Ile Met Cys Leu
Ile Met Asp Thr
Ile Met Glu Ser
Ile Met Ile Cys
Ile Met Leu Cys
Ile Met Ser Glu
Ile Met Thr Asp
Ile Pro Cys Phe
C23H34N4O5S (478.22497940000005)
Ile Pro Phe Cys
C23H34N4O5S (478.22497940000005)
Ile Ser Glu Met
Ile Ser Met Glu
Ile Thr Asp Met
Ile Thr Met Asp
Lys Cys Gln Thr
C18H34N6O7S (478.22095740000003)
Lys Cys Thr Gln
C18H34N6O7S (478.22095740000003)
Lys Met Asn Ser
C18H34N6O7S (478.22095740000003)
Lys Met Ser Asn
C18H34N6O7S (478.22095740000003)
Lys Asn Met Ser
C18H34N6O7S (478.22095740000003)
Lys Asn Ser Met
C18H34N6O7S (478.22095740000003)
Lys Gln Cys Thr
C18H34N6O7S (478.22095740000003)
Lys Gln Thr Cys
C18H34N6O7S (478.22095740000003)
Lys Ser Met Asn
C18H34N6O7S (478.22095740000003)
Lys Ser Asn Met
C18H34N6O7S (478.22095740000003)
Lys Thr Cys Gln
C18H34N6O7S (478.22095740000003)
Lys Thr Gln Cys
C18H34N6O7S (478.22095740000003)
Leu Cys Phe Pro
C23H34N4O5S (478.22497940000005)
Leu Cys Ile Met
Leu Cys Leu Met
Leu Cys Met Ile
Leu Cys Met Leu
Leu Cys Pro Phe
C23H34N4O5S (478.22497940000005)
Leu Asp Met Thr
Leu Asp Thr Met
Leu Glu Met Ser
Leu Glu Ser Met
Leu Phe Cys Pro
C23H34N4O5S (478.22497940000005)
Leu Phe Pro Cys
C23H34N4O5S (478.22497940000005)
Leu Ile Cys Met
Leu Ile Met Cys
Leu Leu Cys Met
Leu Leu Met Cys
Leu Met Cys Ile
Leu Met Cys Leu
Leu Met Asp Thr
Leu Met Glu Ser
Leu Met Ile Cys
Leu Met Leu Cys
Leu Met Ser Glu
Leu Met Thr Asp
Leu Pro Cys Phe
C23H34N4O5S (478.22497940000005)
Leu Pro Phe Cys
C23H34N4O5S (478.22497940000005)
Leu Ser Glu Met
Leu Ser Met Glu
Leu Thr Asp Met
Leu Thr Met Asp
Met Cys Ile Ile
Met Cys Ile Leu
Met Cys Leu Ile
Met Cys Leu Leu
Met Asp Ile Thr
Met Asp Leu Thr
Met Asp Thr Ile
Met Asp Thr Leu
Met Glu Ile Ser
Met Glu Leu Ser
Met Glu Ser Ile
Met Glu Ser Leu
Met Glu Thr Val
Met Glu Val Thr
Met Ile Cys Ile
Met Ile Cys Leu
Met Ile Asp Thr
Met Ile Glu Ser
Met Ile Ile Cys
Met Ile Leu Cys
Met Ile Ser Glu
Met Ile Thr Asp
Met Lys Asn Ser
C18H34N6O7S (478.22095740000003)
Met Lys Ser Asn
C18H34N6O7S (478.22095740000003)
Met Leu Cys Ile
Met Leu Cys Leu
Met Leu Asp Thr
Met Leu Glu Ser
Met Leu Ile Cys
Met Leu Leu Cys
Met Leu Ser Glu
Met Leu Thr Asp
Met Met Val Val
Met Asn Lys Ser
C18H34N6O7S (478.22095740000003)
Met Asn Ser Lys
C18H34N6O7S (478.22095740000003)
Met Ser Glu Ile
Met Ser Glu Leu
Met Ser Ile Glu
Met Ser Lys Asn
C18H34N6O7S (478.22095740000003)
Met Ser Leu Glu
Met Ser Asn Lys
C18H34N6O7S (478.22095740000003)
Met Thr Asp Ile
Met Thr Asp Leu
Met Thr Glu Val
Met Thr Ile Asp
Met Thr Leu Asp
Met Thr Val Glu
Met Val Glu Thr
Met Val Met Val
Met Val Thr Glu
Met Val Val Met
Asn Ala Phe Gln
Asn Ala Gln Phe
Asn Phe Ala Gln
Asn Phe Gln Ala
Asn Lys Met Ser
C18H34N6O7S (478.22095740000003)
Asn Lys Ser Met
C18H34N6O7S (478.22095740000003)
Asn Met Lys Ser
C18H34N6O7S (478.22095740000003)
Asn Met Ser Lys
C18H34N6O7S (478.22095740000003)
Asn Gln Ala Phe
Asn Gln Phe Ala
Asn Ser Lys Met
C18H34N6O7S (478.22095740000003)
Asn Ser Met Lys
C18H34N6O7S (478.22095740000003)
Pro Cys Phe Ile
C23H34N4O5S (478.22497940000005)
Pro Cys Phe Leu
C23H34N4O5S (478.22497940000005)
Pro Cys Ile Phe
C23H34N4O5S (478.22497940000005)
Pro Cys Leu Phe
C23H34N4O5S (478.22497940000005)
Pro Glu His Pro
Pro Glu Pro His
Pro Phe Cys Ile
C23H34N4O5S (478.22497940000005)
Pro Phe Cys Leu
C23H34N4O5S (478.22497940000005)
Pro Phe Ile Cys
C23H34N4O5S (478.22497940000005)
Pro Phe Leu Cys
C23H34N4O5S (478.22497940000005)
Pro His Glu Pro
Pro His Pro Glu
Pro Ile Cys Phe
C23H34N4O5S (478.22497940000005)
Pro Ile Phe Cys
C23H34N4O5S (478.22497940000005)
Pro Leu Cys Phe
C23H34N4O5S (478.22497940000005)
Pro Leu Phe Cys
C23H34N4O5S (478.22497940000005)
Pro Pro Glu His
Pro Pro His Glu
Gln Ala Phe Asn
Gln Ala Asn Phe
Gln Cys Lys Thr
C18H34N6O7S (478.22095740000003)
Gln Cys Thr Lys
C18H34N6O7S (478.22095740000003)
Gln Phe Ala Asn
Gln Phe Gly Gln
Gln Phe Asn Ala
Gln Phe Gln Gly
Gln Gly Phe Gln
Gln Gly Gln Phe
Gln Lys Cys Thr
C18H34N6O7S (478.22095740000003)
Gln Lys Thr Cys
C18H34N6O7S (478.22095740000003)
Gln Asn Ala Phe
Gln Asn Phe Ala
Gln Gln Phe Gly
Gln Gln Gly Phe
Gln Thr Cys Lys
C18H34N6O7S (478.22095740000003)
Gln Thr Lys Cys
C18H34N6O7S (478.22095740000003)
Ser Glu Ile Met
Ser Glu Leu Met
Ser Glu Met Ile
Ser Glu Met Leu
Ser His His Val
Ser His Val His
Ser Ile Glu Met
Ser Ile Met Glu
Ser Lys Met Asn
C18H34N6O7S (478.22095740000003)
Ser Lys Asn Met
C18H34N6O7S (478.22095740000003)
Ser Leu Glu Met
Ser Leu Met Glu
Ser Met Glu Ile
Ser Met Glu Leu
Ser Met Ile Glu
Ser Met Lys Asn
C18H34N6O7S (478.22095740000003)
Ser Met Leu Glu
Ser Met Asn Lys
C18H34N6O7S (478.22095740000003)
Ser Asn Lys Met
C18H34N6O7S (478.22095740000003)
Ser Asn Met Lys
C18H34N6O7S (478.22095740000003)
Ser Val His His
Thr Cys Lys Gln
C18H34N6O7S (478.22095740000003)
Thr Cys Gln Lys
C18H34N6O7S (478.22095740000003)
Thr Asp Ile Met
Thr Asp Leu Met
Thr Asp Met Ile
Thr Asp Met Leu
Thr Glu Met Val
Thr Glu Val Met
Thr Ile Asp Met
Thr Ile Met Asp
Thr Lys Cys Gln
C18H34N6O7S (478.22095740000003)
Thr Lys Gln Cys
C18H34N6O7S (478.22095740000003)
Thr Leu Asp Met
Thr Leu Met Asp
Thr Met Asp Ile
Thr Met Asp Leu
Thr Met Glu Val
Thr Met Ile Asp
Thr Met Leu Asp
Thr Met Val Glu
Thr Gln Cys Lys
C18H34N6O7S (478.22095740000003)
Thr Gln Lys Cys
C18H34N6O7S (478.22095740000003)
Thr Val Glu Met
Thr Val Met Glu
Val Glu Met Thr
Val Glu Thr Met
Val His His Ser
Val His Ser His
Val Met Glu Thr
Val Met Met Val
Val Met Thr Glu
Val Met Val Met
Val Ser His His
Val Thr Glu Met
Val Thr Met Glu
Val Val Met Met
4-Hydroxyandrostenedione glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane
C29H34O4S (478.21776840000007)
4,4-Bis(triethoxysilyl)-1,1-biphenyl
C24H38O6Si2 (478.22068079999997)
Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1- dimethylethoxy)carbonyl]imino]methyl]-, methyl ester
5-(4-methyl-[1,1-biphenyl]-2-yl)-2-trityl-2H-tetrazole
Formestane 4-O-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17beta-hydroxy-4-methoxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone
1-[3-(4-morpholinyl)propyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
N-[(2S,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
C23H34N4O5S (478.22497940000005)
N-[(2R,3S,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
C23H34N4O5S (478.22497940000005)
N-[(2S,3S,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
C23H34N4O5S (478.22497940000005)
(2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
(2R,3R,3aS,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
N-[(2R,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
C23H34N4O5S (478.22497940000005)
2-[(2R,5R,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
2-[(2S,5S,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
2-[(2R,5S,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
[(8S,9R,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-methylsulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
C23H34N4O5S (478.22497940000005)
(1S)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
C23H34N4O5S (478.22497940000005)
N-[(2R,3S,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
C23H34N4O5S (478.22497940000005)
N-[(2S,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
C23H34N4O5S (478.22497940000005)
2-[(2S,5R,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
2-[(2R,5S,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
2-[(2S,5S,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
2-[(2R,5R,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
2-[(2S,5R,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
[(8S,9R,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
(1R)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-methylsulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
C23H34N4O5S (478.22497940000005)
(1R)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
C23H34N4O5S (478.22497940000005)
(4Z,7R,8S,13Z,15E,17S,19Z)-8-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoate
C25H36NO6S- (478.22632160000006)
N-((E)-(3S)-3-Benzylamino-5-phenyl-4-penenoyl)bornane-10,2-saltam
N-((E)-(3R)-3-Benzylamino-5-phenyl-4-pentenoyl)bornane-10,2-sultam
2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is 2-methoxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3.
(8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1-)
C25H36NO6S (478.22632160000006)
A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.
Simalikalactone D
A quassinoid isolated from Quassia amara and Quassia africana. It has been shown to exhibit antimalarial, cytotoxic and antiviral activities.
(4r,9s)-9-[(2-hydroxy-3-methylbutanoyl)oxy]-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
8-hydroxy-10-methyl-14-[(2-methylbutanoyl)oxy]-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-5-yl 3-hydroxy-3-methylbutanoate
9-[(2-hydroxy-3-methylbutanoyl)oxy]-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 4-hydroxy-2-(hydroxymethyl)but-2-enoate
(1r,2s,3r,6r,8s,12s,13s,14r,15r,16s,17s)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-3-yl 3-methylbutanoate
(1r,2r,3s,7s,8r,9s,11s,13r)-1,9-dihydroxy-9,13-dimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.0³,⁷]tetradecan-2-yl (2z)-2-methylbut-2-enoate
(3as,4s,5s,5ar,6r,9s,9as,9br)-6,9-dihydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate
16-(acetyloxy)-14-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-15-yl acetate
2-{[5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 1,6-bis(acetyloxy)-4a,5-dihydroxy-4,4,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-7-carboxylate
3-hydroxy-3,8-dimethyl-2-[(2-methylbutanoyl)oxy]-12-methylidene-9,13-dioxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradecan-10-yl 2-methylbut-2-enoate
4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-8-yl 2-methylbutanoate
2-(furan-3-yl)-6a,10b-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,7h,10h,10ah-naphtho[2,1-c]pyran-4-one
(1r,2r,4r,6r,8s,9z,11s)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl (2e)-2-({[(2s)-2-(hydroxymethyl)butanoyl]oxy}methyl)but-2-enoate
(2s,4ar,6ar,7r,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,7h,10h,10ah-naphtho[2,1-c]pyran-4-one
2,5-epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide; (2β,4αh,5β,6α,8α,9β,10β)-form,6,9-diangeloyl
{"Ingredient_id": "HBIN004673","Ingredient_name": "2,5-epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide; (2\u03b2,4\u03b1h,5\u03b2,6\u03b1,8\u03b1,9\u03b2,10\u03b2)-form,6,9-diangeloyl","Alias": "NA","Ingredient_formula": "C25H34O9","Ingredient_Smile": "NA","Ingredient_weight": "478.53","OB_score": "NA","CAS_id": "79721-99-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8848","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,5r)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN009548","Ingredient_name": "(3r,5r)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C25H34O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5780","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ailanthinone
{"Ingredient_id": "HBIN014939","Ingredient_name": "ailanthinone","Alias": "NA","Ingredient_formula": "C25H34O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","Ingredient_weight": "478.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01257","TCMID_id": "774","TCMSP_id": "NA","TCM_ID_id": "7101;21459","PubChem_id": "118701210","DrugBank_id": "NA"}