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CHEBI:28117 - (+)-catechin 7-O-β-D-xyloside

ChEBI IDCHEBI:28117
ChEBI Name(+)-catechin 7-O-β-D-xyloside
Stars
ASCII Name(+)-catechin 7-O-beta-D-xyloside
DefinitionA monosaccharide derivative that is (+)-catechin substituted by a β-D-xylopyranosyl moiety at position 7 via a glycosidic linkage.
Secondary ChEBI IDsCHEBI:3466, CHEBI:23052
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O10
Net Charge0
Average Mass422.386
Monoisotopic Mass422.12130
SMILESOc1ccc([C@H]2Oc3cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C[C@@H]2O)cc1O
InChIInChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1
InChIKeyUQKKDJWFQBNZBJ-MLYGIHNMSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-catechin 7-O-β-D-xyloside (CHEBI:28117) has functional parent (+)-catechin (CHEBI:15600)
(+)-catechin 7-O-β-D-xyloside (CHEBI:28117) is a monosaccharide derivative (CHEBI:63367)
(+)-catechin 7-O-β-D-xyloside (CHEBI:28117) is a β-D-xyloside (CHEBI:27926)
IUPAC Name 
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl β-D-xylopyranoside
Synonym  Source
Catechin 7-O-beta-D-xylosideKEGG COMPOUND
Manual XrefsDatabases
C09617KEGG COMPOUND
C00008852KNApSAcK
Registry NumbersSources
CAS:65597-47-9KEGG COMPOUND