CHEBI:59128 - O-methylsalicylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name O-methylsalicylate
ChEBI ID CHEBI:59128
ChEBI ASCII Name O-methylsalicylate
Definition Conjugate base of O-methylsalicylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H7O3
Net Charge -1
Average Mass 151.13940
Monoisotopic Mass 151.04007
InChI InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey ILUJQPXNXACGAN-UHFFFAOYSA-M
SMILES COc1ccccc1C([O-])=O
ChEBI Ontology
Outgoing O-methylsalicylate (CHEBI:59128) is a methoxybenzoate (CHEBI:25236)
O-methylsalicylate (CHEBI:59128) is conjugate base of O-methylsalicylic acid (CHEBI:421840)
Incoming 2-methoxybenzoyl-AMP(1−) (CHEBI:188493) has functional parent O-methylsalicylate (CHEBI:59128)
2-methoxybenzoyl-CoA(1−) (CHEBI:188490) has functional parent O-methylsalicylate (CHEBI:59128)
3,6-dichloro-2-methoxybenzoate (CHEBI:141349) has functional parent O-methylsalicylate (CHEBI:59128)
O-methylsalicylic acid (CHEBI:421840) is conjugate acid of O-methylsalicylate (CHEBI:59128)
Synonyms Sources
2-methoxybenzoate UniProt
o-methoxybenzoic acid anion ChEBI
Registry Numbers Types Sources
329974 Gmelin Registry Number Gmelin
3905613 Beilstein Registry Number Beilstein
3905613 Reaxys Registry Number Reaxys
Last Modified
24 September 2021