Dihydrowyerone acid (CHEBI:174274)

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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	Dihydrowyerone acid

ChEBI ID	CHEBI:174274

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O4

Net Charge

Average Mass

246.262

Monoisotopic Mass

246.08921

InChI

InChI=1S/C14H14O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h7-10H,2-4H2,1H3,(H,16,17)/b10-8-

InChIKey

RZGRQFVNPYQSLD-NTMALXAHSA-N

SMILES

O1C(=CC=C1/C=C\C(O)=O)C(=O)C#CCCCC

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	Dihydrowyerone acid (CHEBI:174274) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

(Z)-3-(5-hept-2-ynoyluran-2-yl)prop-2-enoic acid