CHEBI:191742 - (-)-Epicatechin 8-C-galactoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-Epicatechin 8-C-galactoside
ChEBI ID CHEBI:191742
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O11
Net Charge 0
Average Mass 452.412
Monoisotopic Mass 452.13186
InChI InChI=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
InChIKey XWDHVYPMZCGHNM-SIYXLXDSSA-N
SMILES O1C([C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)C=2C=3O[C@@H]([C@H](O)CC3C(O)=CC2O)C4=CC(O)=C(O)C=C4
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-Epicatechin 8-C-galactoside (CHEBI:191742) is a C-glycosyl compound (CHEBI:20857)
(-)-Epicatechin 8-C-galactoside (CHEBI:191742) is a flavonoids (CHEBI:72544)
IUPAC Name
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xrefs Databases
35014885 ChemSpider
HMDB0039823 HMDB
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