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CHEBI:191418 - Catechin 5-glucoside

ChEBI IDCHEBI:191418
ChEBI NameCatechin 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1OC(Oc2cc(O)cc3c2CC(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O
InChIInChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2
InChIKeyZESJTWVSXGZYTD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Catechin 5-glucoside (CHEBI:191418) is a flavonoids (CHEBI:72544)
Catechin 5-glucoside (CHEBI:191418) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0037948HMDB