Metabolomics Structure Database

 
MW REGNO: 2349
Common Name:Methyl jasmonate
Systematic Name:methyl 2-((1R,2R)-3-oxo-2-pent-2Z-enyl)cyclopentyl)acetate
RefMet Name:Methyl jasmonate
Synonyms: [PubChem Synonyms]
Exact Mass:
224.1412 (neutral)    Calculate m/z:
Formula:C13H20O3
InChIKey:GEWDNTWNSAZUDX-WQMVXFAESA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Octadecanoids [FA02]
LIPID MAPS subclass:Jasmonic acids [FA0202]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CC/C=C\C[C@@H]1[C@@H](CC(=O)OC)CCC1=O
Studies:Available studies (via RefMet name)

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References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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