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CHEBI:191722 - Epicatechin 3-glucoside

ChEBI IDCHEBI:191722
ChEBI NameEpicatechin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1OC(OC2Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O
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
InChIKeyYOVYWMDLYSJYPO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0037943HMDB
11209019ChemSpider