3,4-dimethoxybenzoic acid (CHEBI:296881)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3,4-dimethoxybenzoic acid

ChEBI ID	CHEBI:296881

Definition	A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3.

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

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O4

Net Charge

Average Mass

182.17330

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)

InChIKey

DAUAQNGYDSHRET-UHFFFAOYSA-N

SMILES

COc1ccc(cc1OC)C(O)=O

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):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	3,4-dimethoxybenzoic acid (CHEBI:296881) has parent hydride benzoic acid (CHEBI:30746) 3,4-dimethoxybenzoic acid (CHEBI:296881) has role allergen (CHEBI:50904) 3,4-dimethoxybenzoic acid (CHEBI:296881) has role plant metabolite (CHEBI:76924) 3,4-dimethoxybenzoic acid (CHEBI:296881) is a benzoic acids (CHEBI:22723)

Incoming	3β-[(β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65621) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) 3β-[(O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65625) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881) 3β-[(O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-(2-O-3,4-dimethoxybenzoyl-β-D-xylopyranosyl)-(1→3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]cholest-5-en-22-one (CHEBI:65623) has functional parent 3,4-dimethoxybenzoic acid (CHEBI:296881)

IUPAC Name

3,4-dimethoxybenzoic acid

Synonyms	Sources
3,4-Dimethoxybenzoic acid	ChemIDplus
3,4-Dimethylprotocatechuic acid	ChemIDplus
Dimethylprotocatechuic acid	ChemIDplus
Veratric acid	ChemIDplus
Veratrumenoic acid	NIST Chemistry WebBook
Veratrylic acid	NIST Chemistry WebBook

Last Modified

07 March 2019