Exact Mass: 452.1471
Exact Mass Matches: 452.1471
Found 161 metabolites which its exact mass value is equals to given mass value 452.1471,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)pentan-1-imine
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)pentan-1-imine
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]
Ala Cys Glu Met
(4S)-4-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Ala Cys Met Glu
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Ala Glu Cys Met
(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Ala Glu Met Cys
(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Ala Met Cys Glu
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid
Ala Met Glu Cys
(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Cys Ala Glu Met
(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Cys Ala Met Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Cys Cys Asp Ile
(2S,3S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]-3-methylpentanoic acid
Cys Cys Asp Leu
(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]-4-methylpentanoic acid
Cys Cys Glu Val
(4S)-4-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid
Cys Cys Ile Asp
(2S)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanamido]butanedioic acid
Cys Cys Leu Asp
(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanamido]butanedioic acid
Cys Cys Val Glu
(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylbutanamido]pentanedioic acid
Cys Asp Cys Ile
(2S,3S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid
Cys Asp Cys Leu
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid
Cys Asp Ile Cys
(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S,2S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
Cys Asp Leu Cys
(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
Cys Glu Ala Met
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Cys Glu Cys Val
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Cys Glu Met Ala
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Cys Glu Val Cys
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Cys Ile Cys Asp
(2S)-2-[(2R)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-sulfanylpropanamido]butanedioic acid
Cys Ile Asp Cys
(3S)-3-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Cys Leu Cys Asp
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]butanedioic acid
Cys Leu Asp Cys
(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Cys Met Ala Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]propanamido]pentanedioic acid
Cys Met Glu Ala
(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
Cys Val Cys Glu
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-3-sulfanylpropanamido]pentanedioic acid
Cys Val Glu Cys
(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Asp Cys Cys Ile
(2S,3S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid
Asp Cys Cys Leu
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid
Asp Cys Ile Cys
(3S)-3-amino-3-{[(1R)-1-{[(1S,2S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Asp Cys Leu Cys
(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic 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 Gly Met Met
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Asp Ile Cys Cys
(3S)-3-amino-3-{[(1S,2S)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
Asp Leu Cys Cys
(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
Asp Met Gly Met
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanoic acid
Asp Met Met Gly
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Glu Ala Cys Met
(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Ala Met Cys
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Glu Cys Ala Met
(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Cys Cys Val
(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Cys Met Ala
(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Cys Val Cys
(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Met Ala Cys
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Met Cys Ala
(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Val Cys Cys
(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylpropyl]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 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 Asp Met Met
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Gly Phe Asp Asp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-carboxypropanamido]butanedioic acid
Gly Met Asp Met
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Gly Met Met Asp
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Ile Cys Cys Asp
(2S)-2-[(2R)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid
Ile Cys Asp Cys
(3S)-3-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Ile Asp Cys Cys
(3S)-3-[(2S,3S)-2-amino-3-methylpentanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Leu Cys Cys Asp
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid
Leu Cys Asp Cys
(3S)-3-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Leu Asp Cys Cys
(3S)-3-[(2S)-2-amino-4-methylpentanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Met Ala Cys Glu
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-sulfanylpropanamido]pentanedioic acid
Met Ala Glu Cys
(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Met Cys Ala Glu
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]propanamido]pentanedioic acid
Met Cys Glu Ala
(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
Met Asp Gly Met
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]acetamido}-4-(methylsulfanyl)butanoic acid
Met Asp Met Gly
(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Met Glu Ala Cys
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Met Glu Cys Ala
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Met Gly Asp Met
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Met Gly Met Asp
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanamido]butanedioic acid
Met Met Asp Gly
(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid
Met Met Gly Asp
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]acetamido}butanedioic acid
Val Cys Cys Glu
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid
Val Cys Glu Cys
(4S)-4-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Val Glu Cys Cys
(4S)-4-[(2S)-2-amino-3-methylbutanamido]-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
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
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
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic 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.
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
IEM-1460
IEM-1460
IEM-1460 blocks both AMPA and NMDA glutamate receptor with anticonvulsant effect in vivo[1].
(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"}
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
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
(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
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
(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
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
(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
