EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:194067 - 7,4'-O-dimethylkaempferol 3-olate

ChEBI IDCHEBI:194067
ChEBI Name7,4'-O-dimethylkaempferol 3-olate
Stars
ASCII Name7,4'-O-dimethylkaempferol 3-olate
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC17H13O6
Net Charge-1
Average Mass313.285
Monoisotopic Mass313.07176
SMILESCOc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2[O-])cc1
InChIInChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3/p-1
InChIKeyKZBAXKKOXPLOBX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
7,4'-O-dimethylkaempferol 3-olate (CHEBI:194067) is a flavonoid oxoanion (CHEBI:60038)
7,4'-O-dimethylkaempferol 3-olate (CHEBI:194067) is conjugate base of 7,4'-dimethylkaempferol (CHEBI:146145)
Incoming Relation(s)
7,4'-dimethylkaempferol (CHEBI:146145) is conjugate acid of 7,4'-O-dimethylkaempferol 3-olate (CHEBI:194067)
UniProt Name  Source
7,4'-O-dimethylkaempferolUniProt
Citations