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CHEBI:132748 - sodium vanillate

ChEBI IDCHEBI:132748
ChEBI Namesodium vanillate
Stars
DefinitionAn organic sodium salt resulting from the replacement of the proton from the carboxy group of vanillic acid by a sodium ion.
Last Modified19 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H7O4.Na
Net Charge0
Average Mass190.130
Monoisotopic Mass190.02420
SMILESCOc1cc(C(=O)[O-])ccc1O.[Na+]
InChIInChI=1S/C8H8O4.Na/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChIKeyZFRVFUWCVYLUIH-UHFFFAOYSA-M
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
sodium vanillate (CHEBI:132748) has part vanillate (CHEBI:16632)
sodium vanillate (CHEBI:132748) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 4-hydroxy-3-methoxybenzoate
Manual XrefsDatabases
Vanillic_acidWikipedia
Registry NumbersSources
Reaxys:9520930Reaxys
Citations