CHEBI:62641 - perillate

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ChEBI Name perillate
ChEBI ID CHEBI:62641
Definition The monocarboxylic acid anion formed by loss of a proton from the carboxy group of perillic acid; principal microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C10H13O2
Net Charge -1
Average Mass 165.20900
Monoisotopic Mass 165.09210
InChI InChI=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
InChIKey CDSMSBUVCWHORP-UHFFFAOYSA-M
SMILES CC(=C)C1CCC(=CC1)C([O-])=O
ChEBI Ontology
Outgoing perillate (CHEBI:62641) is a monocarboxylic acid anion (CHEBI:35757)
perillate (CHEBI:62641) is conjugate base of perillic acid (CHEBI:36999)
Incoming 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 Sources
4-(1-methylethenyl)-1-cyclohexene-1-carboxylate SUBMITTER
4-isopropenylcyclohex-1-enecarboxylate SUBMITTER
perillate UniProt
perillyl carboxylate SUBMITTER
Manual Xref Database
CPD-12443 MetaCyc
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Last Modified
22 October 2012