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CHEBI:78589 - 2-O,3-dimethylflaviolin-7-olate

ChEBI IDCHEBI:78589
ChEBI Name2-O,3-dimethylflaviolin-7-olate
Stars
ASCII Name2-O,3-dimethylflaviolin-7-olate
DefinitionAn organic anion that is the conjugate base of 2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified4 August 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H9O5
Net Charge-1
Average Mass233.199
Monoisotopic Mass233.04555
SMILESCOC1=C(C)C(=O)c2c(O)cc([O-])cc2C1=O
InChIInChI=1S/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3/p-1
InChIKeyMMVQTVRCJUHCSV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-O,3-dimethylflaviolin-7-olate (CHEBI:78589) is a organic anion (CHEBI:25696)
2-O,3-dimethylflaviolin-7-olate (CHEBI:78589) is conjugate base of 2-O,3-dimethylflaviolin (CHEBI:82611)
Incoming Relation(s)
2-O,3-dimethylflaviolin (CHEBI:82611) is conjugate acid of 2-O,3-dimethylflaviolin-7-olate (CHEBI:78589)
IUPAC Name 
4-hydroxy-7-methoxy-6-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-olate
Synonym  Source
2-methoxy-3-methylflaviolin-7-olateChEBI
UniProt Name  Source
2-O,3-dimethylflaviolinUniProt
Manual XrefsDatabases
CPD-16658MetaCyc
Citations