RefMet Compound Details

MW structure2349 (View MW Metabolite Database details)
RefMet nameMethyl jasmonate
Systematic namemethyl 2-((1R,2R)-3-oxo-2-pent-2Z-enyl)cyclopentyl)acetate
SMILESCC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass224.141245 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC13H20O3View other entries in RefMet with this formula
InChIKeyGEWDNTWNSAZUDX-WQMVXFAESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassOctadecanoids
Sub ClassJasmonic acids
Pubchem CID5281929
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)