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CHEBI:81684 - 5-Carboxyvanillic acid

ChEBI IDCHEBI:81684
ChEBI Name5-Carboxyvanillic acid
Stars
DownloadsMolfile
FormulaC9H8O6
Net Charge0
Average Mass212.157
Monoisotopic Mass212.03209
SMILESCOc1cc(C(=O)O)cc(C(=O)O)c1O
InChIInChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)
InChIKeyNLSSJYQPZIQJNC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-Carboxyvanillic acid (CHEBI:81684) is a 2-hydroxyisophthalic acid (CHEBI:19643)
Synonyms  Source
4-Hydroxy-5-methoxyisophthalateKEGG COMPOUND
5-CarboxyvanillateKEGG COMPOUND
4-Hydroxy-5-methoxy-1,3-benzenedicarboxylateKEGG COMPOUND
Manual XrefsDatabases
C18338KEGG COMPOUND
Registry NumbersSources
CAS:2134-91-0KEGG COMPOUND