Exact Mass: 540.2206656000001
Exact Mass Matches: 540.2206656000001
Found 218 metabolites which its exact mass value is equals to given mass value 540.2206656000001,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sambacin
(1R,8E,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadeca-4,9-diene-3,11-dione
Sambacin is found in herbs and spices. Sambacin is isolated from Jasminum sambac (Arabian jasmine).
(1S,2R)-1-[4-beta-D-glucopyranosyloxy-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol|(7S,8R)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside|(7S,8R)-erythro-7,9,9-tirhydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside
(1S,2R)-1-[4-beta-D-glucopyranosyloxy-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol|(7S,8R)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside|(7S,8R)-erythro-7,9,9-tirhydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside
(1S,5R,6R,9R)-5,12-epoxy-megastigman-3-on-9-ol 9-O-[6-O-galloyl]-beta-D-glucopyranoside|(9R)-megastigman-3-on-5,11-epoxy-9-ol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside C
(1S,5R,6R,9R)-5,12-epoxy-megastigman-3-on-9-ol 9-O-[6-O-galloyl]-beta-D-glucopyranoside|(9R)-megastigman-3-on-5,11-epoxy-9-ol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside C
(6S,9R)-megastigman-4-en-3-one-6,9-diol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside A
(6S,9R)-megastigman-4-en-3-one-6,9-diol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside A
7-hydroxy-9-beta-glucopyranosyloxylsecoisolariciresinol|cinnacassoside A
7-hydroxy-9-beta-glucopyranosyloxylsecoisolariciresinol|cinnacassoside A
7-hydroxy-9-beta-glucopyranosyloxy secoisolariciresinol
7-hydroxy-9-beta-glucopyranosyloxy secoisolariciresinol
7S,8S-4,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-7-O-beta-D-glucopyranoside|8-O-4-neolignan-7-O-beta-glucopyranoside
7S,8S-4,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-7-O-beta-D-glucopyranoside|8-O-4-neolignan-7-O-beta-glucopyranoside
1-(4-hydroxymethyl-3-methoxyphenyl)-2-<4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy>-1,3-propanediol|1-(4-hydroxymethyl-3-methoxyphenyl)-2-[4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy]-1,3-propanediol
1-(4-hydroxymethyl-3-methoxyphenyl)-2-<4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy>-1,3-propanediol|1-(4-hydroxymethyl-3-methoxyphenyl)-2-[4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy]-1,3-propanediol
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]
NCGC00384841-01!2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]
Asp Phe Pro Tyr
(3S)-3-amino-3-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid
Asp Phe Tyr Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Asp Ile Met Tyr
(3S)-3-amino-3-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
Asp Ile Tyr Met
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid
Asp Leu Met Tyr
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
Asp Leu Tyr Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid
Asp Met Ile Tyr
(3S)-3-amino-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Asp Met Leu Tyr
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Asp Met Tyr Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
Asp Met Tyr Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
Asp Pro Phe Tyr
(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid
Asp Pro Tyr Phe
(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid
Asp Tyr Phe Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
Asp Tyr Ile Met
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanoic acid
Asp Tyr Leu Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
Asp Tyr Met Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanoic acid
Asp Tyr Met Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanoic acid
Asp Tyr Pro Phe
(3S)-3-amino-3-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}propanoic acid
Glu His Gln Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid
Glu Met Val Tyr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Met Tyr Val
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Glu Gln His Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid
Glu Gln Gln His
(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}butanoic acid
Glu Val Met Tyr
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Glu Val Tyr Met
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Glu Tyr Met Val
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Glu Tyr Val Met
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Phe Asp Pro Tyr
(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid
Phe Asp Tyr Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Phe Pro Asp Tyr
(3S)-3-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Phe Pro Tyr Asp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Phe Tyr Asp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Phe Tyr Pro Asp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
His Glu Gln Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid
His Gln Glu Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid
His Gln Gln Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]pentanedioic acid
Ile Asp Met Tyr
(3S)-3-[(2S,3S)-2-amino-3-methylpentanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Ile Asp Tyr Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid
Ile Met Asp Tyr
(3S)-3-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Ile Met Tyr Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Ile Tyr Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Ile Tyr Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Leu Asp Met Tyr
(3S)-3-[(2S)-2-amino-4-methylpentanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Leu Asp Tyr Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid
Leu Met Asp Tyr
(3S)-3-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Leu Met Tyr Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Leu Tyr Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Leu Tyr Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Met Asp Ile Tyr
(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
Met Asp Leu Tyr
(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
Met Asp Tyr Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid
Met Asp Tyr Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
Met Glu Val Tyr
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Met Glu Tyr Val
(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Met Ile Asp Tyr
(3S)-3-[(2S,3S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Met Ile Tyr Asp
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Met Leu Asp Tyr
(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Met Leu Tyr Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Met Val Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Met Val Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Met Tyr Asp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-methylpentanoic acid
Met Tyr Asp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid
Met Tyr Glu Val
(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid
Met Tyr Ile Asp
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]butanedioic acid
Met Tyr Leu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]butanedioic acid
Met Tyr Val Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]pentanedioic acid
Pro Asp Phe Tyr
(3S)-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid
Pro Asp Tyr Phe
(3S)-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid
Pro Phe Asp Tyr
(3S)-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-[(2S)-3-phenyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoic acid
Pro Phe Tyr Asp
(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-phenyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanedioic acid
Pro Tyr Asp Phe
(3S)-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoic acid
Pro Tyr Phe Asp
(2S)-2-[(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-phenylpropanamido]butanedioic acid
Gln Glu His Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid
Gln Glu Gln His
(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
Gln His Glu Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid
Gln His Gln Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid
Gln Gln Glu His
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Gln Gln His Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
Val Glu Met Tyr
(4S)-4-[(2S)-2-amino-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Val Glu Tyr Met
(4S)-4-[(2S)-2-amino-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Val Met Glu Tyr
(4S)-4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
Val Met Tyr Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid
Val Tyr Glu Met
(4S)-4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Val Tyr Met Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
Tyr Asp Phe Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
Tyr Asp Ile Met
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanoic acid
Tyr Asp Leu Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
Tyr Asp Met Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanoic acid
Tyr Asp Met Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanoic acid
Tyr Asp Pro Phe
(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid
Tyr Glu Met Val
(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Tyr Glu Val Met
(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Tyr Phe Asp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Tyr Phe Pro Asp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
Tyr Ile Asp Met
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Tyr Ile Met Asp
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Tyr Leu Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Tyr Leu Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Tyr Met Asp Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-methylpentanoic acid
Tyr Met Asp Leu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-methylpentanoic acid
Tyr Met Glu Val
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid
Tyr Met Ile Asp
(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanamido]butanedioic acid
Tyr Met Leu Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]butanedioic acid
Tyr Met Val Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]pentanedioic acid
Tyr Pro Asp Phe
(3S)-3-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
Tyr Pro Phe Asp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]butanedioic acid
Tyr Val Glu Met
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Tyr Val Met Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
12R-acetoxy-punaglandin 4
methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7E,10E,14Z-prostatrienoate-cyclo[8,12R]
12R-acetoxy-7Z-punaglandin 4
methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7Z,10E,14Z-prostatrienoate-cyclo[8,12R]
12S-acetoxy-punaglandin 5
methyl 5S,6S,12S-triacetoxy-9-oxo-10-chloro-10E,14Z,17Z-prostatrienoate-cyclo[8R,12S]
Sambacin
(8E)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0^{4,9}]heptadeca-4,9-diene-3,11-dione
12R-acetoxy-punaglandin 4
methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7E,10E,14Z-prostatrienoate-cyclo[8,12R]
12R-acetoxy-7Z-punaglandin 4
methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7Z,10E,14Z-prostatrienoate-cyclo[8,12R]
12S-acetoxy-punaglandin 5
methyl 5S,6S,12S-triacetoxy-9-oxo-10-chloro-10E,14Z,17Z-prostatrienoate-cyclo[8R,12S]
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,5-ditert-butylphenoxy]-3-(trifluoromethyl)aniline
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,5-ditert-butylphenoxy]-3-(trifluoromethyl)aniline
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
(4S,5S)-5-[2-(azidomethyl)phenyl]-4-[[2-(azidomethyl)phenyl]methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazole-4-carboxamide
(4S,5S)-5-[2-(azidomethyl)phenyl]-4-[[2-(azidomethyl)phenyl]methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazole-4-carboxamide
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
20-carboxy-leukotriene B4-(beta-D-glucuronide)(2-)
20-carboxy-leukotriene B4-(beta-D-glucuronide)(2-)
C26H36O12-2 (540.2206656000001)
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide)(2-)
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide)(2-)
A leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3.
Velusetrag (hydrochloride)
Velusetrag (hydrochloride)
Velusetrag (TD-5108) hydrochloride is an orally active, potent and selective agonist of serotonin 5-HT4 receptor (5-HT4R), with a pKi of 7.7. Velusetrag hydrochloride exhibits no affinity (Ki>10 μM) for 5-HT2A and 5-HT2B receptors. Velusetrag hydrochloride can be used for the research of gastrointestinal diseases and Parkinson's disease[1][2][3][4][5].
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
[(2r,3s,4s,5r,6s)-6-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6s)-6-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
2-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
2-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
10-acetoxy-1-acevaltratehydrin
NA
{"Ingredient_id": "HBIN000041","Ingredient_name": "10-acetoxy-1-acevaltratehydrin","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "CC(C)CC(=O)OC1C=C2C(C1(COC(=O)C)O)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "121","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylstritosamide
NA
{"Ingredient_id": "HBIN012613","Ingredient_name": "6-o-acetylstritosamide","Alias": "NA","Ingredient_formula": "C28H32N2O9","Ingredient_Smile": "CC=C1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)COC(=O)C)O)O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-β-d-glucopyranoside
NA
{"Ingredient_id": "HBIN013000","Ingredient_name": "7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21698","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(13r,15s)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(13r,15s)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
n-[(2z,5r,6s,9s,10r,11r)-2-(butan-2-ylidene)-7,10-dihydroxy-5,11-dimethyl-3,12-dioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-7-en-6-yl]-3-hydroxypyridine-2-carboximidic acid
n-[(2z,5r,6s,9s,10r,11r)-2-(butan-2-ylidene)-7,10-dihydroxy-5,11-dimethyl-3,12-dioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-7-en-6-yl]-3-hydroxypyridine-2-carboximidic acid
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,6s,7r,7as)-4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
(1s,6s,7r,7as)-4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7,9-bis(acetyloxy)-4,5,11-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
7,9-bis(acetyloxy)-4,5,11-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
2-(4-{1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(4-{1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,6r,7s,7ar)-4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
(1r,6r,7s,7ar)-4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
2-[(1s,2s)-1-{5-[(1r)-1-(2-hydroxyphenyl)prop-2-en-1-yl]-2,4-dimethoxyphenoxy}-1-phenylpropan-2-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
2-[(1s,2s)-1-{5-[(1r)-1-(2-hydroxyphenyl)prop-2-en-1-yl]-2,4-dimethoxyphenoxy}-1-phenylpropan-2-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
15-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
15-[2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
n-[(2e)-2-(butan-2-ylidene)-7,10-dihydroxy-5,11-dimethyl-3,12-dioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-7-en-6-yl]-3-hydroxypyridine-2-carboximidic acid
n-[(2e)-2-(butan-2-ylidene)-7,10-dihydroxy-5,11-dimethyl-3,12-dioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-7-en-6-yl]-3-hydroxypyridine-2-carboximidic acid
{6-[(4-{1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl}butan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
{6-[(4-{1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl}butan-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
2-[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3,4,5-trihydroxy-6-{[4-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
(3,4,5-trihydroxy-6-{[4-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-1h-naphtho[2,1-c]pyran-10-yl acetate
(2s,4ar,6as,7r,9s,10r,10ar,10bs)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-1h-naphtho[2,1-c]pyran-10-yl acetate
(3r,4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
(3r,4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
(2s,3r,4s,5s,6r)-2-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(2s,3r,4s,5s,6r)-2-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(1s,2r,3s,4s,7s,8z,11r,12r,13s,16r,17s)-11,12-bis(acetyloxy)-3,4,16,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-2-yl acetate
(1s,2r,3s,4s,7s,8z,11r,12r,13s,16r,17s)-11,12-bis(acetyloxy)-3,4,16,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-2-yl acetate
(2r,3r,4s,5s,6r)-2-[(1s,2s)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(1s,2s)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3s,4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
(3s,4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
n-[(3s,4r,7r,8r,9s)-7-benzyl-4,9-dimethyl-8-[(2-methylpropanoyl)oxy]-2,6-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
n-[(3s,4r,7r,8r,9s)-7-benzyl-4,9-dimethyl-8-[(2-methylpropanoyl)oxy]-2,6-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(13r,15r)-15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(13r,15r)-15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
2-(1-{5-[1-(2-hydroxyphenyl)prop-2-en-1-yl]-2,4-dimethoxyphenoxy}-1-phenylpropan-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
2-(1-{5-[1-(2-hydroxyphenyl)prop-2-en-1-yl]-2,4-dimethoxyphenoxy}-1-phenylpropan-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
(1r,2r,3r,4r,5r,7r,8r,9r,11s,12z,14r,17s)-7,9-bis(acetyloxy)-4,5,11-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
(1r,2r,3r,4r,5r,7r,8r,9r,11s,12z,14r,17s)-7,9-bis(acetyloxy)-4,5,11-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,2s,3s,4s,5s,7s,8r,9s,11r,12z,14s,17r)-7,9-bis(acetyloxy)-2,4,5-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-11-yl acetate
(1r,2s,3s,4s,5s,7s,8r,9s,11r,12z,14s,17r)-7,9-bis(acetyloxy)-2,4,5-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-11-yl acetate
1-{[(1r,4z,8e,10z,12s,15r,17s)-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]oxy}-n-phenylmethanimidic acid
1-{[(1r,4z,8e,10z,12s,15r,17s)-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]oxy}-n-phenylmethanimidic acid
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
15-[2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
15-[2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
(2r,3r,4s,5s,6r)-2-[(1s,2r)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(1s,2r)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(2s,3r)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-[(2s,3r)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2e,6z)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
5-ethenyl-1-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl (2e,6z)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
(2s,3r,4s,5s,6r)-2-{4-[(1s,2r)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1s,2r)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6r)-6-{[(2r)-4-[(1s,5r,8r)-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6r)-6-{[(2r)-4-[(1s,5r,8r)-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
7,11-bis(acetyloxy)-2,4,5-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-9-yl acetate
7,11-bis(acetyloxy)-2,4,5-trihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-9-yl acetate
n-[(2z)-2-(butan-2-ylidene)-7,10-dihydroxy-5,11-dimethyl-3,12-dioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-7-en-6-yl]-3-hydroxypyridine-2-carboximidic acid
n-[(2z)-2-(butan-2-ylidene)-7,10-dihydroxy-5,11-dimethyl-3,12-dioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-7-en-6-yl]-3-hydroxypyridine-2-carboximidic acid