CHEBI:166596 - Nitecapone

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ChEBI Name Nitecapone
ChEBI ID CHEBI:166596
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H11NO6
Net Charge 0
Average Mass 265.221
Monoisotopic Mass 265.05864
InChI InChI=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
InChIKey UPMRZALMHVUCIN-UHFFFAOYSA-N
SMILES OC1=C([N+]([O-])=O)C=C(C=C(C(=O)C)C(=O)C)C=C1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nitecapone (CHEBI:166596) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name
3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Manual Xrefs Databases
4576539 ChemSpider
D03241 KEGG DRUG
EAO PDBeChem
HMDB0041949 HMDB
View more database links
Registry Number Type Source
116313-94-1 CAS Registry Number ChemIDplus