EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:57759 - gossypetin-3-olate

ChEBI IDCHEBI:57759
ChEBI Namegossypetin-3-olate
Stars
DefinitionThe conjugate base of gossypetin arising from selective deprotonation of the hydroxy group at the 3-position; major species at pH 7.3.
Last Modified6 April 2018
DownloadsMolfile
FormulaC15H9O8
Net Charge-1
Average Mass317.229
Monoisotopic Mass317.03029
SMILESO=c1c([O-])c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12
InChIInChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H/p-1
InChIKeyYRRAGUMVDQQZIY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
gossypetin-3-olate (CHEBI:57759) is a flavonoid oxoanion (CHEBI:60038)
gossypetin-3-olate (CHEBI:57759) is conjugate base of gossypetin (CHEBI:16400)
Incoming Relation(s)
gossypetin (CHEBI:16400) is conjugate acid of gossypetin-3-olate (CHEBI:57759)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4-oxo-4H-chromen-3-olate
Synonym  Source
gossypetin anionChEBI
Manual XrefsDatabases
334578-HEXAHYDROXYFLAVONEMetaCyc