Jasmonic acid

enlarge

Systematic / IUPAC Name: {3-Oxo-2-[(2E)-2-penten-1-yl]cyclopentyl}acetic acid

ID: Reference457

Other Names: 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid;
{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;
Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-;
(-)-1α,2β-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid;
2-[(1R,2R)-2-((2Z)Pent-2-enyl)-3-oxocyclopentyl]acetic acid ; more

Formula: C12H18O3

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 276
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/22/2015 1:13:41 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChI Key ZNJFBWYDHIGLCU-HWKXXFMVSA-N
Canonical SMILES O=C1C(C/C=C/CC)C(CC(=O)O)CC1
CAS 6894388
Splash
Other Names 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid;
{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;
Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-;
(-)-1α,2β-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid;
2-[(1R,2R)-2-((2Z)Pent-2-enyl)-3-oxocyclopentyl]acetic acid;
Cyclopentaneacetic acid, 3-oxo-2-[(2Z)-2-pentenyl]-, (1R,2R)-;
Jasmonic acid

In Other Databases

PubChem 5281166
HMDb HMDB32797
ChEBI CHEBI:18292
KEGG C08491
ChEMBL CHEMBL449572
ChemSpider 4444606
ChemIDPlus 006894388
Wikipedia Jasmonic acid
LipidsMAPs LMFA02020001