isohomovanillic acid (CHEBI:70818)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	isohomovanillic acid

ChEBI ID	CHEBI:70818

Definition	A member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid.

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

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C9H10O4

Net Charge

Average Mass

182.17330

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)

InChIKey

BWXLCOBSWMQCGP-UHFFFAOYSA-N

SMILES

COc1ccc(CC(O)=O)cc1O

Roles Classification
Chemical Role(s):	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.

ChEBI Ontology
Outgoing	isohomovanillic acid (CHEBI:70818) has functional parent (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) isohomovanillic acid (CHEBI:70818) has role metabolite (CHEBI:25212) isohomovanillic acid (CHEBI:70818) is a aromatic ether (CHEBI:35618) isohomovanillic acid (CHEBI:70818) is a phenols (CHEBI:33853) isohomovanillic acid (CHEBI:70818) is a phenylacetic acids (CHEBI:25978)

IUPAC Name

(3-hydroxy-4-methoxyphenyl)acetic acid

Synonym	Source
Homoisovanillic acid	HMDB

Last Modified

23 December 2018