Exact Mass: 452.1509
Exact Mass Matches: 452.1509
Found 161 metabolites which its exact mass value is equals to given mass value 452.1509,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Melleolide M
2a,7-Dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2ah,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoic acid
Melleolide M is found in mushrooms. Melleolide M is a metabolite of Armillariella mellea (honey mushroom Metabolite of Armillariella mellea (honey mushroom). Melleolide M is found in mushrooms.
5alpha-Androstan-3alpha,17beta-diol disulfate
[(1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acid
5alpha-Androstan-3alpha,17beta-diol disulfate, also known as 5α-androstan-3α,17β-diol disulfuric acid, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3alpha,17beta-diol disulfate is considered to be a practically insoluble (in water) and an extremely strong acidic compound. 5alpha-Androstan-3alpha,17beta-diol disulfate can be found in feces.
5alpha-Androstan-3beta,17alpha-diol disulfate
[(1S,2S,5S,7S,10R,11S,14R,15S)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acid
5alpha-Androstan-3beta,17alpha-diol disulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3beta,17alpha-diol disulfate was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.
Epimedokoreanin A
2- (3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl) -8,9-dihydro-5-hydroxy-8- (1-methylethenyl) -4H-furo [ 2,3-h ] -1-benzopyran-4-one
(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
5-hydroxymorusin|5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo(1,2-b:3,4-b)-pyran-4-one|5-hydroxymorusin|artonin E|hydroxyartoflavone A
5-hydroxymorusin|5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo(1,2-b:3,4-b)-pyran-4-one|5-hydroxymorusin|artonin E|hydroxyartoflavone A
(2E)-3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one|3,6-dihydroxy-2,4,4-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone
(2E)-3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one|3,6-dihydroxy-2,4,4-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone
9-(1-Hydroperoxy-isopropyl)-6,12-dihydroxy-3,3-dimethyl-8H,9H-benzo[f]pyrano[6,5-8,7]chromeno[3,2-d]oxepin-7-one
9-(1-Hydroperoxy-isopropyl)-6,12-dihydroxy-3,3-dimethyl-8H,9H-benzo[f]pyrano[6,5-8,7]chromeno[3,2-d]oxepin-7-one
5-Methoxy-(3,4-dihydro-3,4-diacetoxy)-2,2-dimethylpyrano-(7,8:5,6)-flavone
5-Methoxy-(3,4-dihydro-3,4-diacetoxy)-2,2-dimethylpyrano-(7,8:5,6)-flavone
methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate
NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate
methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]
NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]
methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]
NCGC00380341-01!methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]
Cys Glu Thr Thr
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S,2R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Cys Gly His His
(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
Cys His Gly His
(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid
Cys His His Gly
2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid
Cys Thr Glu Thr
(4S)-4-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Cys Thr Thr Glu
(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]pentanedioic acid
Asp Asp Phe Gly
(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-phenylethyl]carbamoyl}propanoic acid
Asp Asp Gly Phe
(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-[({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}methyl)carbamoyl]propanoic acid
Asp Phe Asp Gly
(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid
Asp Phe Gly Asp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]acetamido}butanedioic acid
Asp Gly Asp Phe
(3S)-3-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
Asp Gly Phe Asp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-phenylpropanamido]butanedioic acid
Asp Met Ser Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid
Asp Met Thr Ser
(3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Asp Ser Met Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid
Asp Ser Thr Met
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid
Asp Thr Met Ser
(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
Asp Thr Ser Met
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid
Glu Cys Thr Thr
(4S)-4-amino-4-{[(1R)-1-{[(1S,2R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Met Ser Ser
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Ser Met Ser
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Glu Ser Ser Met
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Glu Thr Cys Thr
(4S)-4-amino-4-{[(1S,2R)-1-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Glu Thr Thr Cys
(4S)-4-amino-4-{[(1S,2R)-1-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Phe Asp Asp Gly
(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid
Phe Asp Gly Asp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]acetamido}butanedioic acid
Phe Gly Asp Asp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-carboxypropanamido]butanedioic acid
Gly Cys His His
(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid
Gly Asp Asp Phe
(3S)-3-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
Gly Asp Phe Asp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-phenylpropanamido]butanedioic acid
Gly Phe Asp Asp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-carboxypropanamido]butanedioic acid
Gly His Cys His
(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Gly His His Cys
(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid
His Cys Gly His
(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid
His Cys His Gly
2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid
His Gly Cys His
(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid
His Gly His Cys
(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid
His His Cys Gly
2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]acetic acid
His His Gly Cys
(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-sulfanylpropanoic acid
Met Asp Ser Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid
Met Asp Thr Ser
(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
Met Glu Ser Ser
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Met Ser Asp Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid
Met Ser Glu Ser
(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Met Ser Ser Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]pentanedioic acid
Met Ser Thr Asp
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]butanedioic acid
Met Thr Asp Ser
(3S)-3-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
Met Thr Ser Asp
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]butanedioic acid
Ser Asp Met Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid
Ser Asp Thr Met
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid
Ser Glu Met Ser
(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Ser Glu Ser Met
(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Ser Met Asp Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid
Ser Met Glu Ser
(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Ser Met Ser Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]pentanedioic acid
Ser Met Thr Asp
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]butanedioic acid
Ser Ser Glu Met
(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Ser Ser Met Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Ser Thr Asp Met
(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Ser Thr Met Asp
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Thr Cys Glu Thr
(4S)-4-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid
Thr Cys Thr Glu
(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]pentanedioic acid
Thr Asp Met Ser
(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Thr Asp Ser Met
(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Thr Glu Cys Thr
(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Thr Glu Thr Cys
(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
Thr Met Asp Ser
(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
Thr Met Ser Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]butanedioic acid
Thr Ser Asp Met
(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Thr Ser Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Thr Thr Cys Glu
(2S)-2-[(2R)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]pentanedioic acid
Thr Thr Glu Cys
(4S)-4-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Melleolide M
2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
17-Acetyloxy-6-chloro-1α-chloromethylpregna-4,6-diene-3,20-dione
17-Acetyloxy-6-chloro-1α-chloromethylpregna-4,6-diene-3,20-dione
4-[6-(1-benzylpyrrol-2-yl)-4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
4-[6-(1-benzylpyrrol-2-yl)-4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
CARBONYLHYDRIDO[6-(DI-T-BUTYLPHOSPHINOMETHYLENE)-2-(N,N-DIETHYLAMINOMETHYL)-1,6-DIHYDROPYRIDINE]RUTHENIUM(II)
CARBONYLHYDRIDO[6-(DI-T-BUTYLPHOSPHINOMETHYLENE)-2-(N,N-DIETHYLAMINOMETHYL)-1,6-DIHYDROPYRIDINE]RUTHENIUM(II)
Aiphanol
Aiphanol
A lignan that is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol which is substituted by a 2-(3,5-dihydroxyphenyl)ethenyl group at position 6 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 3. It is a stilbenolignan isolated from the seeds of Aiphanes aculeata and exhibits potent inhibitory efficacy against cyclooxygenase-1 and -2 (COX-1 and COX-2).
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
Ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
N-[[1-(beta-D-Glucopyranosyl)-1H-indole-3-yl]acetyl]-L-aspartic acid
N-[[1-(beta-D-Glucopyranosyl)-1H-indole-3-yl]acetyl]-L-aspartic acid
5-Hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
5-Hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2, 4 and 5, a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus.
[4-[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
[4-[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
3,4-dimethoxy-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
3,4-dimethoxy-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate
Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate
(2S)-2-amino-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid
(2S)-2-amino-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid
9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
(16s)-16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
(16s)-16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
(8r)-5-hydroxy-8-(prop-1-en-2-yl)-2-[(3s,4s)-3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-8h,9h-furo[2,3-h]chromen-4-one
(8r)-5-hydroxy-8-(prop-1-en-2-yl)-2-[(3s,4s)-3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-8h,9h-furo[2,3-h]chromen-4-one
5-methoxy-(3'',4''-dihydro-3'',4''-diacetoxy)-2'',2''-dimethylpyrano-(7,8:5'',6'')-flavone
NA
{"Ingredient_id": "HBIN011733","Ingredient_name": "5-methoxy-(3'',4''-dihydro-3'',4''-diacetoxy)-2'',2''-dimethylpyrano-(7,8:5'',6'')-flavone","Alias": "NA","Ingredient_formula": "C25H24O8","Ingredient_Smile": "CC(=O)OC1C(C(OC2=CC(=C3C(=O)C=C(OC3=C12)C4=CC=CC=C4)OC)(C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerstilbenolignan pmv70p691-042
NA
{"Ingredient_id": "HBIN016364","Ingredient_name": "anticancerstilbenolignan pmv70p691-042","Alias": "NA","Ingredient_formula": "C25H24O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1448","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,2as,4as,7r,7as,7br)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(2r,2as,4as,7r,7as,7br)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol
3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol
(5r,5'r)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone
(5r,5'r)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone
(6as,8r,9s,9as)-5-chloro-8-hydroxy-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-3-[(3s)-3-methylpent-1-en-1-yl]-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid
(6as,8r,9s,9as)-5-chloro-8-hydroxy-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-3-[(3s)-3-methylpent-1-en-1-yl]-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid
5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone
5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone
9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate
9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate
2-[3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one
2-[3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one
(6as,9s,9as)-5-chloro-8-hydroxy-8-(3-hydroxybutan-2-yl)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid
(6as,9s,9as)-5-chloro-8-hydroxy-8-(3-hydroxybutan-2-yl)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid
(3s)-3-methyl-8-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione
(3s)-3-methyl-8-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione
(2r,3r,7s)-4-oxo-2-(3,4,5-trimethoxyphenyl)-5,13-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),9,11,14-tetraen-3-yl acetate
(2r,3r,7s)-4-oxo-2-(3,4,5-trimethoxyphenyl)-5,13-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),9,11,14-tetraen-3-yl acetate
10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate
10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate
(8s)-2-[(2r,3r)-3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one
(8s)-2-[(2r,3r)-3,7-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-8-(prop-1-en-2-yl)-8h,9h-furo[2,3-h]chromen-4-one
(3r,3as,8r,8as)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol
(3r,3as,8r,8as)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol
(9r,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate
(9r,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate
(5r,5's)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone
(5r,5's)-5,5'-dihydroxy-4,4'-dimethoxy-1,1'-dimethyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,2',6,6'-tetrone
3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate
3-hydroxy-2,5-dimethylphenyl 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate
(6as,8r,9s,9as)-5-chloro-8-hydroxy-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid
(6as,8r,9s,9as)-5-chloro-8-hydroxy-8-[(2r,3s)-3-hydroxybutan-2-yl]-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6-oxo-9h,9ah-furo[2,3-h]isochromene-9-carboxylic acid
16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
8-(3,4-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-5-yl acetate
8-(3,4-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-5-yl acetate
(3r,4s,5r)-3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid
(3r,4s,5r)-3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid
(2r,2as,4as,7as,7br)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(2r,2as,4as,7as,7br)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(2r,2as,4ar,7r,7as,7br)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(2r,2as,4ar,7r,7as,7br)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(9r,10s)-9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate
(9r,10s)-9-(acetyloxy)-5-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-10-yl acetate
(3s,3ar,8s,8ar)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol
(3s,3ar,8s,8ar)-3-(3,4-dihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-1h,3h,3ah,8h,8ah-indeno[1,2-c]furan-5,7-diol
10-chloro-6-methyl-15-(4-methyl-6-oxo-2,5-dihydropyran-2-yl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate
10-chloro-6-methyl-15-(4-methyl-6-oxo-2,5-dihydropyran-2-yl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate
3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid
3-(acetyloxy)-4,5-bis[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid
(9s,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate
(9s,10r)-10-(acetyloxy)-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9h,10h-pyrano[2,3-h]chromen-9-yl acetate
5-{2-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol
5-{2-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol
(3s)-3-methyl-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione
(3s)-3-methyl-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione
(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
(8s)-2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
(5s,6z,9e,13s,15r)-10-chloro-6-methyl-15-[(2r)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate
(5s,6z,9e,13s,15r)-10-chloro-6-methyl-15-[(2r)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate
(2e)-3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
(2e)-3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
