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CHEBI:140305 - genistein 7-O-β-D-glucoside(1−)

ChEBI IDCHEBI:140305
ChEBI Namegenistein 7-O-β-D-glucoside(1−)
Stars
ASCII Namegenistein 7-O-beta-D-glucoside(1-)
DefinitionA flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of genistein 7-O-β-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified29 March 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H19O10
Net Charge-1
Average Mass431.373
Monoisotopic Mass431.09837
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c12
InChIInChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/p-1/t15-,18-,19+,20-,21-/m1/s1
InChIKeyZCOLJUOHXJRHDI-CMWLGVBASA-M
ChEBI Ontology
Outgoing Relation(s)
genistein 7-O-β-D-glucoside(1−) (CHEBI:140305) is a flavonoid oxoanion (CHEBI:60038)
genistein 7-O-β-D-glucoside(1−) (CHEBI:140305) is conjugate base of genistein 7-O-β-D-glucoside (CHEBI:27514)
Incoming Relation(s)
genistein 7-O-β-D-glucoside (CHEBI:27514) is conjugate acid of genistein 7-O-β-D-glucoside(1−) (CHEBI:140305)
IUPAC Name 
7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-olate
Synonyms  Source
genistin(1−)SUBMITTER
genistein 7-β-glucoside(1−)ChEBI
genistein 7-β-D-glucoside(1−)ChEBI
UniProt Name  Source
genistein 7-O-β-D-glucosideUniProt