CHEBI:63798 - 3-hydroxy-4-methoxybenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxy-4-methoxybenzoic acid
Definition A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H8O4
Net Charge 0
Average Mass 168.14670
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
SMILES COc1ccc(cc1O)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): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxy-4-methoxybenzoic acid (CHEBI:63798) has role antibacterial agent (CHEBI:33282)
3-hydroxy-4-methoxybenzoic acid (CHEBI:63798) has role plant metabolite (CHEBI:76924)
3-hydroxy-4-methoxybenzoic acid (CHEBI:63798) is a methoxybenzoic acid (CHEBI:25238)
3-hydroxy-4-methoxybenzoic acid (CHEBI:63798) is a monohydroxybenzoic acid (CHEBI:25389)
3-hydroxy-4-methoxybenzoic acid (CHEBI:63798) is conjugate acid of 3-hydroxy-4-methoxybenzoate (CHEBI:63797)
Incoming bis(trimethylsilyl)isovanillate (CHEBI:88177) has functional parent 3-hydroxy-4-methoxybenzoic acid (CHEBI:63798)
3-hydroxy-4-methoxybenzoate (CHEBI:63797) is conjugate base of 3-hydroxy-4-methoxybenzoic acid (CHEBI:63798)
3-hydroxy-4-methoxybenzoic acid
Synonyms Sources
3-hydroxy-p-anisic acid NIST Chemistry WebBook
3-Hydroxyanisic acid ChemIDplus
Acide isovanillique ChemIDplus
Isovanillic acid ChemIDplus
Manual Xref Database
HMDB0060003 HMDB
View more database links
Registry Numbers Types Sources
2208365 Beilstein Registry Number ChemIDplus
2208365 Reaxys Registry Number Reaxys
645-08-9 CAS Registry Number ChemIDplus
645-08-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
23477143 PubMed citation Europe PMC
24820992 PubMed citation Europe PMC
24956816 PubMed citation Europe PMC
Last Modified
23 May 2016