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CHEBI:5304 - genistein 8-C-glucoside

ChEBI IDCHEBI:5304
ChEBI Namegenistein 8-C-glucoside
Stars
ASCII Namegenistein 8-C-glucoside
DefinitionA C-glycosyl compound that is genistein substituted by a β-D-glucopyranosyl residue at position 8 via a C-glucosidic linkage.
Last Modified23 June 2015
DownloadsMolfile
FormulaC21H20O10
Net Charge0
Average Mass432.381
Monoisotopic Mass432.10565
SMILESO=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
InChIInChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2/t13-,17-,18+,19-,21+/m1/s1
InChIKeyHIWJJOYYZFELEZ-FFYOZGDPSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
genistein 8-C-glucoside (CHEBI:5304) has functional parent genistein (CHEBI:28088)
genistein 8-C-glucoside (CHEBI:5304) has role plant metabolite (CHEBI:76924)
genistein 8-C-glucoside (CHEBI:5304) is a C-glycosyl compound (CHEBI:20857)
genistein 8-C-glucoside (CHEBI:5304) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
(1S)-1,5-anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
Manual XrefsDatabases
C10420KEGG COMPOUND
C00006118KNApSAcK
LMPK12050163LIPID MAPS
Registry NumbersSources
Reaxys:5180823Reaxys
CAS:66026-80-0KEGG COMPOUND
Citations