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CHEBI:195585 - Cis-Entacapone

ChEBI IDCHEBI:195585
ChEBI NameCis-Entacapone
Stars
Last Modified6 September 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15N3O5
Net Charge0
Average Mass305.290
Monoisotopic Mass305.10117
SMILESCCN(CC)C(=O)/C(C#N)=C\c1cc(O)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5-
InChIKeyJRURYQJSLYLRLN-YHYXMXQVSA-N
Species of MetaboliteComponentSourceComments
Apis mellifera (ncbitaxon:7460) ovary (BTO:0000975) MetaboLights (MTBLS7576)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cis-Entacapone (CHEBI:195585) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
Manual XrefsDatabases
10608657ChemSpider