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CHEBI:19950 - 3-O-methylgallate

ChEBI IDCHEBI:19950
ChEBI Name3-O-methylgallate
Stars
ASCII Name3-O-methylgallate
DefinitionA member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-O-methylgallic acid.
Last Modified23 October 2012
DownloadsMolfile
FormulaC8H7O5
Net Charge-1
Average Mass183.139
Monoisotopic Mass183.02990
SMILESCOc1cc(C(=O)[O-])cc(O)c1O
InChIInChI=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
InChIKeyKWCCUYSXAYTNKA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-O-methylgallic acid (CHEBI:28647) is conjugate acid of 3-O-methylgallate (CHEBI:19950)
IUPAC Name 
3,4-dihydroxy-5-methoxybenzoate
Synonym  Source
4,5-Dihydroxy-m-anisateChEBI
UniProt Name  Source
3-O-methylgallateUniProt