CHEBI:19950 - 3-O-methylgallate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-O-methylgallate
ChEBI ID CHEBI:19950
ChEBI ASCII Name 3-O-methylgallate
Definition A member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-O-methylgallic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H7O5
Net Charge -1
Average Mass 183.13818
Monoisotopic Mass 183.02990
InChI InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)/p-1
InChIKey KWCCUYSXAYTNKA-UHFFFAOYSA-M
SMILES COc1cc(cc(O)c1O)C([O-])=O
ChEBI Ontology
Outgoing 3-O-methylgallate (CHEBI:19950) has functional parent gallate (CHEBI:16918)
3-O-methylgallate (CHEBI:19950) is a benzoates (CHEBI:22718)
3-O-methylgallate (CHEBI:19950) is conjugate base of 3-O-methylgallic acid (CHEBI:28647)
Incoming 3-O-methylgallic acid (CHEBI:28647) is conjugate acid of 3-O-methylgallate (CHEBI:19950)
IUPAC Name
3,4-dihydroxy-5-methoxybenzoate
Synonyms Sources
3-O-methylgallate UniProt
4,5-Dihydroxy-m-anisate ChEBI
Last Modified
23 October 2012