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(-)-Epigallocatechin 3-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM114827

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

formula

C₂₁H₂₂O₁₃

charge

mass

482.10604

reference

chebi:168759

InChIKey

ZTOAOZDTXSRHIB-BBGDWMAASA-N

InChI

InChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1

SMILES

O=C(O)[C@H]1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168759 chebi:168759	(-)-Epigallocatechin 3-glucuronide (2S,3S,4S,5R,6R)-6-[[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0041639	(-)-Epigallocatechin 3-glucuronide (-)-Epigallocatechin 3-O-glucuronide (2S,3S,4S,5R,6R)-6-{[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate (2S,3S,4S,5R,6R)-6-{[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB41639	secondary/obsolete/fantasy identifier