CHEBI:68496 - 3-methoxysalicylic acid

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ChEBI Name 3-methoxysalicylic acid
ChEBI ID CHEBI:68496
Definition Benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H8O4
Net Charge 0
Average Mass 168.14670
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey AUZQQIPZESHNMG-UHFFFAOYSA-N
SMILES COc1cccc(C(O)=O)c1O
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.
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ChEBI Ontology
Outgoing 3-methoxysalicylic acid (CHEBI:68496) has role metabolite (CHEBI:25212)
3-methoxysalicylic acid (CHEBI:68496) is a methoxybenzoic acid (CHEBI:25238)
3-methoxysalicylic acid (CHEBI:68496) is a monohydroxybenzoic acid (CHEBI:25389)
IUPAC Name
2-hydroxy-3-methoxybenzoic acid
Synonym Source
o-vanillic acid ChEBI
Registry Numbers Types Sources
2209642 Reaxys Registry Number Reaxys
877-22-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
26 October 2012