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4'-O-methyl-(-)-epicatechin-7-O-beta-glucuronide

Properties

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Occurences in reactions

MNX_ID

MNXM117724

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₃H₂₆O₁₁

charge

mass

478.14751

reference

chebi:169271

InChIKey

WWUOCDVEANIMJR-PJNUPCPCSA-N

InChI

InChI=1S/C23H26O11/c1-2-9-3-4-10(5-13(9)24)20-15(26)8-12-14(25)6-11(7-16(12)33-20)32-23-19(29)17(27)18(28)21(34-23)22(30)31/h3-7,15,17-21,23-29H,2,8H2,1H3,(H,30,31)/t15-,17-,18-,19?,20?,21?,23+/m0/s1

SMILES

CCc1ccc(C2Oc3cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc(O)c3C[C@@H]2O)cc1O

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:169271 chebi:169271	4'-O-methyl-(-)-epicatechin-7-O-beta-glucuronide (3S,4S,6S)-6-[[(3S)-2-(4-ethyl-3-hydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0029183	4'-O-Methylepicatechin 7-O-glucuronide (2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate (2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 4'-O-Methyl-(-)-epicatechin 7-O-glucuronide 4'-O-Methyl-(-)-epicatechin 7-glucuronide 4'-O-Methyl-(-)-epicatechin-7-O-beta-D-glucuronide 4'-O-Methyl-(-)-epicatechin-7-O-beta-glucuronide 4'-O-Methyl-(-)-epicatechin-7-beta-D-glucuronide 4'-O-Methylepicatechin 7-glucuronide 4ME7G
hmdb:HMDB0127867	6-{[2-(4-ethyl-3-hydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6-{[2-(4-ethyl-3-hydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
hmdb:HMDB29183	secondary/obsolete/fantasy identifier