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CHEBI:166617 - Epicatechin 3-O-beta-D-glucoside

ChEBI IDCHEBI:166617
ChEBI NameEpicatechin 3-O-beta-D-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2/t15-,16?,17-,18?,19?,20-,21-/m1/s1
InChIKeyYOVYWMDLYSJYPO-GZWGXFAISA-N
ChEBI Ontology
Outgoing Relation(s)
Epicatechin 3-O-beta-D-glucoside (CHEBI:166617) is a flavonoids (CHEBI:72544)
Epicatechin 3-O-beta-D-glucoside (CHEBI:166617) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,5S)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842528ChemSpider
LMPK12020051LIPID MAPS