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](CC(=O)OC)CCC1=O
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
InChIInChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1
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)
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