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CHEBI:180537 - piperonylate

Default Structure
ChEBI IDCHEBI:180537
ChEBI Namepiperonylate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of piperonylic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified24 November 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H5O4
Net Charge-1
Average Mass165.124
Monoisotopic Mass165.01933
SMILESO=C([O-])c1ccc2c(c1)OCO2
InChIInChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)/p-1
InChIKeyVDVJGIYXDVPQLP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
piperonylate (CHEBI:180537) is a monocarboxylic acid anion (CHEBI:35757)
piperonylate (CHEBI:180537) is conjugate base of piperonylic acid (CHEBI:107644)
Incoming Relation(s)
piperonylic acid (CHEBI:107644) is conjugate acid of piperonylate (CHEBI:180537)
IUPAC Name 
1,3-benzodioxole-5-carboxylate
Synonyms  Source
1,3-dioxaindane-5-carboxylateChEBI
3,4-dioxymethylenebenzoateChEBI
3,4-methylenedioxybenzoateChEBI
3,4-(methylenedioxy)benzoateChEBI
piperonylic acid anionChEBI
UniProt Name  Source
piperonylateUniProt
Citations