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CHEBI:68496 - 3-methoxysalicylic acid

Default Structure
ChEBI IDCHEBI:68496
ChEBI Name3-methoxysalicylic acid
Stars
DefinitionBenzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3.
Last Modified20 May 2020
Submittermwilliams
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCOc1cccc(C(=O)O)c1O
InChIInChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyAUZQQIPZESHNMG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methoxysalicylic acid (CHEBI:68496) has role metabolite (CHEBI:25212)
3-methoxysalicylic acid (CHEBI:68496) is a methoxysalicylic acid (CHEBI:149777)
IUPAC Name 
2-hydroxy-3-methoxybenzoic acid
Synonym  Source
o-vanillic acidChEBI
Registry NumbersSources
Reaxys:2209642Reaxys
CAS:877-22-5ChemIDplus
Citations