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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid

ChEBI ID	CHEBI:183702

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H11NO4

Net Charge

Average Mass

233.223

Monoisotopic Mass

233.06881

InChI

InChI=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+

InChIKey

DMACYVMZKYRYSL-WEVVVXLNSA-N

SMILES

O(C1=C(OC)C=CC(=C1)/C=C(/C(O)=O)\C#N)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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