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CHEBI:183702 - 2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid

ChEBI IDCHEBI:183702
ChEBI Name2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11NO4
Net Charge0
Average Mass233.223
Monoisotopic Mass233.06881
SMILESCOc1ccc(/C=C(\C#N)C(=O)O)cc1OC
InChIInChI=1S/C12H11NO4/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b9-5+
InChIKeyDMACYVMZKYRYSL-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid (CHEBI:183702) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Manual XrefsDatabases
4525971ChemSpider