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CHEBI:57963 - vitexin-7-olate

ChEBI IDCHEBI:57963
ChEBI Namevitexin-7-olate
Stars
DefinitionConjugate base of vitexin arising from deprotonation of the 7-hydroxy group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H19O10
Net Charge-1
Average Mass431.373
Monoisotopic Mass431.09837
SMILESO=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])cc(O)c12
InChIInChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/p-1/t14-,17-,18+,19-,21+/m1/s1
InChIKeySGEWCQFRYRRZDC-VPRICQMDSA-M
ChEBI Ontology
Outgoing Relation(s)
vitexin-7-olate (CHEBI:57963) is a flavonoid oxoanion (CHEBI:60038)
vitexin-7-olate (CHEBI:57963) is conjugate base of vitexin (CHEBI:16954)
Incoming Relation(s)
vitexin (CHEBI:16954) is conjugate acid of vitexin-7-olate (CHEBI:57963)
IUPAC Name 
(1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol
Synonyms  Source
vitexin anionChEBI
vitexin-7-olate(1−)ChEBI
vitexin-7-olate anionChEBI
UniProt Name  Source
vitexinUniProt