Perillic acid

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Systematic / IUPAC Name: 4-Isopropenyl-1-cyclohexene-1-carboxylic acid

ID: Reference1385

Other Names: 4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid;
4-(1-Methylethenyl)-1-cyclohexene-1-carboxylic acid;
(S)-(-)-4-Isopropenyl-1-cyclohexene-1-carboxylic acid;
1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-

Formula: C10H14O2

Class: Endogenous Metabolites

Spectral Data

Perillic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 150
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 7:39:27 AM
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Identificators

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)
InChI Key CDSMSBUVCWHORP-UHFFFAOYSA-N
Canonical SMILES CC(=C)C1CCC(=CC1)C(=O)O
CAS 7694453
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Other Names 4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid;
4-(1-Methylethenyl)-1-cyclohexene-1-carboxylic acid;
(S)-(-)-4-Isopropenyl-1-cyclohexene-1-carboxylic acid;
1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-

In Other Databases

KEGG C11924
HMDb HMDB04586
ChEBI CHEBI:36999
Wikipedia Perillasäure (DE)
ChEMBL CHEMBL1373981
ChemIDPlus 007694453
ChemSpider 1218
PubChem 1256