CHEBI:191722 - Epicatechin 3-glucoside

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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 3-glucoside
ChEBI ID CHEBI:191722
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/c22-7-16-17(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
InChIKey YOVYWMDLYSJYPO-UHFFFAOYSA-N
SMILES O1C(OC2C(OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C(O)C(O)C(O)C1CO
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 3-glucoside (CHEBI:191722) is a flavonoids (CHEBI:72544)
Epicatechin 3-glucoside (CHEBI:191722) is a glycoside (CHEBI:24400)
IUPAC Name
2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
11209019 ChemSpider
HMDB0037943 HMDB
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