CHEBI:296881 - 3,4-dimethoxybenzoic acid

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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
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Formula C9H10O4
Net Charge 0
Average Mass 182.17330
Monoisotopic Mass 182.058
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.
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ChEBI Ontology
Outgoing 3,4-dimethoxybenzoic acid (CHEBI:296881) has parent hydride benzoic acid (CHEBI:30746)
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
Manual Xrefs Databases
HMDB0059763 HMDB
LSM-19990 LINCS
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Registry Numbers Types Sources
1007934 Gmelin Registry Number Gmelin
518285 Reaxys Registry Number Reaxys
518285 Beilstein Registry Number Beilstein
93-07-2 CAS Registry Number NIST Chemistry WebBook
93-07-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22426778 PubMed citation Europe PMC
23666007 PubMed citation Europe PMC
23753470 PubMed citation Europe PMC
25034806 PubMed citation Europe PMC
3377143 PubMed citation Europe PMC
8911701 PubMed citation Europe PMC
Last Modified
25 February 2016