EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58447 - isovitexin-7-olate

ChEBI IDCHEBI:58447
ChEBI Nameisovitexin-7-olate
Stars
DefinitionThe 7-oxoanion of isovitexin.
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H19O10
Net Charge-1
Average Mass431.373
Monoisotopic Mass431.09837
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/p-1/t14-,17-,19+,20-,21+/m1/s1
InChIKeyMYXNWGACZJSMBT-VJXVFPJBSA-M
ChEBI Ontology
Outgoing Relation(s)
isovitexin-7-olate (CHEBI:58447) is a flavonoid oxoanion (CHEBI:60038)
isovitexin-7-olate (CHEBI:58447) is conjugate base of isovitexin (CHEBI:18330)
Incoming Relation(s)
isovitexin (CHEBI:18330) is conjugate acid of isovitexin-7-olate (CHEBI:58447)
IUPAC Name 
(1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol
UniProt Name  Source
isovitexinUniProt
Manual XrefsDatabases
ISOVITEXINMetaCyc