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CHEBI:62641 - perillate

ChEBI IDCHEBI:62641
ChEBI Nameperillate
Stars
DefinitionThe monocarboxylic acid anion formed by loss of a proton from the carboxy group of perillic acid; principal microspecies at pH 7.3.
Last Modified22 October 2012
SubmitterEugeni Belda
DownloadsMolfile
FormulaC10H13O2
Net Charge-1
Average Mass165.212
Monoisotopic Mass165.09210
SMILESC=C(C)C1CC=C(C(=O)[O-])CC1
InChIInChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/p-1
InChIKeyCDSMSBUVCWHORP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
perillate (CHEBI:62641) is a monocarboxylic acid anion (CHEBI:35757)
perillate (CHEBI:62641) is conjugate base of perillic acid (CHEBI:36999)
Incoming Relation(s)
perillic acid (CHEBI:36999) is conjugate acid of perillate (CHEBI:62641)
IUPAC Name 
4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
Synonyms  Source
perillyl carboxylateSUBMITTER
4-(1-methylethenyl)-1-cyclohexene-1-carboxylateSUBMITTER
4-isopropenylcyclohex-1-enecarboxylateSUBMITTER
UniProt Name  Source
perillateUniProt
Manual XrefsDatabases
CPD-12443MetaCyc