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CHEBI:78742 - prunetin 4'-O-glucoside

ChEBI IDCHEBI:78742
ChEBI Nameprunetin 4'-O-glucoside
Stars
ASCII Nameprunetin 4'-O-glucoside
DefinitionA glycosyloxyisoflavone that is the 4'-O-β-D-glucoside of prunetin.
Last Modified2 April 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCOc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2c1
InChIInChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKeyOFUWGCQDMVDLIR-RECXWPGBSA-N
ChEBI Ontology
Outgoing Relation(s)
prunetin 4'-O-glucoside (CHEBI:78742) has functional parent prunetin (CHEBI:8600)
prunetin 4'-O-glucoside (CHEBI:78742) is a 7-methoxyisoflavones (CHEBI:140356)
prunetin 4'-O-glucoside (CHEBI:78742) is a glycosyloxyisoflavone (CHEBI:74630)
prunetin 4'-O-glucoside (CHEBI:78742) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
4-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)phenyl β-D-glucopyranoside
Synonyms  Source
5,4'-dihydroxy-7-methoxyisoflavone 4'-O-β-D-glucosideChEBI
4'-(β-D-glucosyloxy)- 5-hydroxy-7-methoxyisoflavoneChEBI
prunetin 4'-O-glucosideChEBI
prunitrinChEBI
prunetrinChEBI
Citations