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CHEBI:166596 - Nitecapone

ChEBI IDCHEBI:166596
ChEBI NameNitecapone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11NO6
Net Charge0
Average Mass265.221
Monoisotopic Mass265.05864
SMILESCC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O
InChIInChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3
InChIKeyUPMRZALMHVUCIN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Nitecapone (CHEBI:166596) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Manual XrefsDatabases
4576539ChemSpider
EAOPDBeChem
D03241KEGG DRUG
HMDB0041949HMDB
Registry NumbersSources
CAS:116313-94-1ChemIDplus