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(-)-epicatechin-3'-O-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106191

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₂₄O₁₁

charge

mass

452.412

reference

seedM:cpd32966

InChIKey

ZZTOVZGFHZQEAT-NJOLZHPTSA-N

InChI

InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16-,17-,18+,19-,20-,21-/m1/s1

SMILES

[cH:1]1[cH:2][c:11]([OH:24])[c:15]([O:31][C@H:21]2[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@H:17]([OH:27])[C@@H:16]([CH2:7][OH:22])[O:32]2)[cH:3][c:8]1[C@@H:20]1[C@H:13]([OH:26])[CH2:6][c:10]2[c:12]([OH:25])[cH:4][c:9]([OH:23])[cH:5][c:14]2[O:30]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-19110 metacycM:CPD-19110 seed.compound:cpd32966 seedM:cpd32966	(-)-epicatechin-3'-O-glucoside
hmdb:HMDB0037946	Catechin 3'-glucoside 2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol Catechin 3'-O-beta-D-glucopyranoside
CHEBI:191437 chebi:191437	Catechin 3'-glucoside 2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
hmdb:HMDB37946 seedM:M_cpd32966	secondary/obsolete/fantasy identifier