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

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ChEBI Name biochanin A 7-O-β-D-glucoside(1−)
ChEBI ID CHEBI:77804
ChEBI ASCII Name biochanin A 7-O-beta-D-glucoside(1-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C22H21O10
Net Charge -1
Average Mass 445.39670
Monoisotopic Mass 445.11402
InChI InChI=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
InChIKey LFEUICHQZGNOHD-RECXWPGBSA-M
SMILES COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c2c1=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
biochanin A 7-O-β-D-glucoside UniProt
Last Modified
06 June 2014
Submitter Remark
2014-03-19 18:13:20.0 Anne Morgat Conjugate of CHEBI:28751