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CHEBI:66904 - 2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside

ChEBI IDCHEBI:66904
ChEBI Name2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside
Stars
ASCII Name2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside
DefinitionA β-D-glucoside in which a β-D-glucopyranosyl residue is attached at position 4' of 2',3,4,4',6'-pentahydroxychalcone via a glycosidic linkage.
Last Modified28 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1
InChIKeyGZTXEEPKLNRIEL-LYXDKPSQSA-N
ChEBI Ontology
Outgoing Relation(s)
2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66904) has functional parent 2',3,4,4',6'-pentahydroxychalcone (CHEBI:10836)
2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66904) is a β-D-glucoside (CHEBI:22798)
2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66904) is conjugate acid of 2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside(1−) (CHEBI:77622)
Incoming Relation(s)
2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside(1−) (CHEBI:77622) is conjugate base of 2',3,4,4',6'-pentahydroxychalcone 4'-O-β-D-glucoside (CHEBI:66904)
IUPAC Name 
4-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenyl β-D-glucopyranoside
Synonyms  Source
PHC 4'-O-glucosideKEGG DRUG
2',3,4,4',6'-Pentahydroxychalcone 4'-O-glucosideKEGG DRUG
PHC 4'-O-glucosideKEGG COMPOUND
Manual XrefsDatabases
CPD-8633MetaCyc
C16408KEGG COMPOUND
Registry NumbersSources
Reaxys:1303162Reaxys
Citations