RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199771
RefMet name	Methyl dihydrojasmonate
Systematic name	methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Synonyms	PubChem Synonyms
Exact mass	226.156895 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C13H22O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	45073 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	KVWWIYGFBYDJQC-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCC1C(CCC1=O)CC(=O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Octadecanoids
Sub Class	Jasmonic acids
Distribution of Methyl dihydrojasmonate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Methyl dihydrojasmonate
External Links
Pubchem CID	102861
ChEBI ID	89741
HMDB ID	HMDB0031740
Chemspider ID	92919
EPA CompTox	DTXCID109325
Spectral data for Methyl dihydrojasmonate standards
MassBank(EU)	View MS spectra