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CHEBI:16632 - vanillate

ChEBI IDCHEBI:16632
ChEBI Namevanillate
Stars
DefinitionA methoxybenzoate that is the conjugate base of vanillic acid.
Secondary ChEBI IDsCHEBI:15301, CHEBI:27277, CHEBI:46315
Last Modified22 April 2022
DownloadsMolfile

FormulaC8H7O4
Net Charge-1
Average Mass167.140
Monoisotopic Mass167.03498
SMILESCOc1cc(C(=O)[O-])ccc1O
InChIInChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
InChIKeyWKOLLVMJNQIZCI-UHFFFAOYSA-M

Roles Classification

ChEBI Ontology
IUPAC Name 
4-hydroxy-3-methoxybenzoate
Synonym  Source
4-HYDROXY-3-METHOXYBENZOATEPDBeChem
UniProt Name  Source
vanillateUniProt
Manual XrefsDatabases
C06672KEGG COMPOUND
c0194UM-BBD
VNLPDBeChem
DB08711DrugBank
Registry NumbersSources
Reaxys:6504377Reaxys