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CHEBI:181687 - Epicatechin 8-C-beta-D-glucopyranoside

ChEBI IDCHEBI:181687
ChEBI NameEpicatechin 8-C-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILES[H][C@@]1(c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O[C@H](CO)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17?,18-,19-,21+/m1/s1
InChIKeyXWDHVYPMZCGHNM-HZICDIAPSA-N
ChEBI Ontology
Outgoing Relation(s)
Epicatechin 8-C-beta-D-glucopyranoside (CHEBI:181687) is a C-glycosyl compound (CHEBI:20857)
Epicatechin 8-C-beta-D-glucopyranoside (CHEBI:181687) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol