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CHEBI:82611 - 2-O,3-dimethylflaviolin

ChEBI IDCHEBI:82611
ChEBI Name2-O,3-dimethylflaviolin
Stars
ASCII Name2-O,3-dimethylflaviolin
DefinitionA member of the class of naphthoquinones that is 2-O-methylflaviolin in which the hydrogen at position 3 is replaced by a methyl group.
Last Modified14 April 2020
SubmitterSteve
DownloadsMolfile
FormulaC12H10O5
Net Charge0
Average Mass234.207
Monoisotopic Mass234.05282
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
InChIKeyMMVQTVRCJUHCSV-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-O,3-dimethylflaviolin (CHEBI:82611) has functional parent flaviolin (CHEBI:42646)
2-O,3-dimethylflaviolin (CHEBI:82611) has role bacterial metabolite (CHEBI:76969)
2-O,3-dimethylflaviolin (CHEBI:82611) is a enol ether (CHEBI:47985)
2-O,3-dimethylflaviolin (CHEBI:82611) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
2-O,3-dimethylflaviolin (CHEBI:82611) is a phenols (CHEBI:33853)
2-O,3-dimethylflaviolin (CHEBI:82611) is conjugate acid of 2-O,3-dimethylflaviolin-7-olate (CHEBI:78589)
Incoming Relation(s)
2-O,3-dimethylflaviolin-7-olate (CHEBI:78589) is conjugate base of 2-O,3-dimethylflaviolin (CHEBI:82611)
IUPAC Name 
5,7-dihydroxy-2-methoxy-3-methyl-1,4-naphthoquinone
Synonym  Source
2-methoxy-3-methylflaviolinChEBI
Manual XrefsDatabases
CPD-16658MetaCyc
Registry NumbersSources
Reaxys:9564514Reaxys
Citations