isoferulic acid (CHEBI:27794)

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ChEBI Name	isoferulic acid

ChEBI ID	CHEBI:27794

Definition	A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:6010, CHEBI:24888

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O4

Net Charge

Average Mass

194.18400

Monoisotopic Mass

194.05791

InChI

InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

InChIKey

QURCVMIEKCOAJU-HWKANZROSA-N

SMILES

COc1ccc(\C=C\C(O)=O)cc1O

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	biomarker A substance used as an indicator of a biological state.

ChEBI Ontology
Outgoing	isoferulic acid (CHEBI:27794) has role antioxidant (CHEBI:22586) isoferulic acid (CHEBI:27794) has role biomarker (CHEBI:59163) isoferulic acid (CHEBI:27794) has role metabolite (CHEBI:25212) isoferulic acid (CHEBI:27794) is a ferulic acids (CHEBI:24031)

Incoming	isovitexin 7-O-[isoferuloyl]-glucoside (CHEBI:75371) has functional parent isoferulic acid (CHEBI:27794)

IUPAC Name

(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

Synonyms	Sources
3-Hydroxy-4-methoxycinnamic acid	HMDB
Hesperetic acid	HMDB

Last Modified

23 October 2015