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CHEBI:77804 - biochanin A 7-O-β-D-glucoside(1−)

ChEBI IDCHEBI:77804
ChEBI Namebiochanin A 7-O-β-D-glucoside(1−)
Stars
ASCII Namebiochanin A 7-O-beta-D-glucoside(1-)
DefinitionA flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-β-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified6 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H21O10
Net Charge-1
Average Mass445.400
Monoisotopic Mass445.11402
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])c3c2=O)cc1
InChIInChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/p-1/t16-,19-,20+,21-,22-/m1/s1
InChIKeyLFEUICHQZGNOHD-RECXWPGBSA-M
ChEBI Ontology
Outgoing Relation(s)
biochanin A 7-O-β-D-glucoside(1−) (CHEBI:77804) is a flavonoid oxoanion (CHEBI:60038)
biochanin A 7-O-β-D-glucoside(1−) (CHEBI:77804) is conjugate base of biochanin A 7-O-β-D-glucoside (CHEBI:28751)
Incoming Relation(s)
biochanin A 7-O-β-D-glucoside (CHEBI:28751) is conjugate acid of biochanin A 7-O-β-D-glucoside(1−) (CHEBI:77804)
IUPAC Name 
7-(β-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-olate
UniProt Name  Source
biochanin A 7-O-β-D-glucosideUniProt