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CHEBI:186053 - Catechin-4-ol 3-O-beta-D-glycopyranoside

ChEBI IDCHEBI:186053
ChEBI NameCatechin-4-ol 3-O-beta-D-glycopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O12
Net Charge0
Average Mass468.411
Monoisotopic Mass468.12678
SMILESOCC1O[C@@H](O[C@H]2C(O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H24O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15-30H,6H2/t13?,15-,16?,17?,18?,19-,20+,21+/m1/s1
InChIKeyXVCDTACMJMYHGB-ISGQNNRWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Catechin-4-ol 3-O-beta-D-glycopyranoside (CHEBI:186053) is a flavonoids (CHEBI:72544)
Catechin-4-ol 3-O-beta-D-glycopyranoside (CHEBI:186053) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromene-4,5,7-triol
Manual XrefsDatabases
24842616ChemSpider
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