| SpectraBase Spectrum ID |
2aFh2YRqjUY |
| Name |
Jasmonic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
6894-38-8 |
| ChEBI ID |
18292 |
| Comments |
Saturated jasmonic acid - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C12 H18 O3 |
| IUPAC Name |
2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid; 2-[(1R,2R)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid; 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid |
| 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 |
| InChIKey |
ZNJFBWYDHIGLCU-HIHHVFROSA-N |
| KEGG Compound ID |
C08491 |
| KEGG Pathways |
PATH: ko00592 alpha-Linolenic acid metabolism |
| PubChem Compound ID |
5281166 |
| SMILES |
CCC=CCC1C(CCC1=O)CC(=O)O; CC\C=C/C[C@@H]1[C@H](CCC1=O)CC(=O)O |
| Source File Reference |
bmse000525 |
