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CHEBI:192963 - Catechin 4'-O-beta-D-glucopyranoside

ChEBI IDCHEBI:192963
ChEBI NameCatechin 4'-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1O[C@@H](Oc2ccc([C@H]3Oc4cc(O)cc(O)c4C[C@@H]3O)cc2O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18?,19?,20+,21+/m0/s1
InChIKeyLTDLFQZRSXJVAN-NNPRWLJOSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Catechin 4'-O-beta-D-glucopyranoside (CHEBI:192963) is a flavonoids (CHEBI:72544)
Catechin 4'-O-beta-D-glucopyranoside (CHEBI:192963) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S)-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
LMPK12020064LIPID MAPS
24842540ChemSpider