1.0 2010-04-08 22:04:57 UTC 2025-11-18 22:31:12 UTC FDB001424 Methyl epijasmonate Flavouring compound [Flavornet]. Methyl epijasmonate is found in lemon. (+)-(Z)-methyl epijasmonate (Z)-Methyl epijasmonate Epijasmonic acid methyl ester Methyl 7-epijasmonate Methyl-7-iso-jasmonate C13H20O3 224.2961 224.141244506 methyl 2-[(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetate methyl 7-epi-jasmonate 95722-42-2 CC\C=C/C[C@H]1[C@@H](CC(=O)OC)CCC1=O InChI=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 GEWDNTWNSAZUDX-KWKBKKAHSA-N belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Jasmonic acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic homomonocyclic compounds Cyclic ketones Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Hydrocarbon derivative Jasmonic acid Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Jasmonic acids Jasmonic acids jasmonate ester methyl ester logp 2.62 ALOGPS logs -3.12 ALOGPS solubility 1.68e-01 g/l ALOGPS logp 2.56 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac methyl 2-[(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetate ChemAxon average_mass 224.2961 ChemAxon mono_mass 224.141244506 ChemAxon smiles CC\C=C/C[C@H]1[C@@H](CC(=O)OC)CCC1=O ChemAxon formula C13H20O3 ChemAxon inchi InChI=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 ChemAxon inchikey GEWDNTWNSAZUDX-KWKBKKAHSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 63.33 ChemAxon polarizability 25.2 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 2391 Specdb::CMs 1085277 Specdb::MsMs 91584 Specdb::MsMs 91585 Specdb::MsMs 91586 Specdb::MsMs 155001 Specdb::MsMs 155002 Specdb::MsMs 155003 Specdb::MsMs 3597325 Specdb::MsMs 3597326 Specdb::MsMs 3597327 Specdb::MsMs 3597328 Specdb::MsMs 3597329 Specdb::MsMs 3597330 Specdb::NmrOneD 256308 Specdb::NmrOneD 256309 Specdb::NmrOneD 256310 Specdb::NmrOneD 256311 Specdb::NmrOneD 256312 Specdb::NmrOneD 256313 Specdb::NmrOneD 256314 Specdb::NmrOneD 256315 Specdb::NmrOneD 256316 Specdb::NmrOneD 256317 Specdb::NmrOneD 256318 Specdb::NmrOneD 256319 Specdb::NmrOneD 256320 Specdb::NmrOneD 256321 Specdb::NmrOneD 256322 Specdb::NmrOneD 256323 Specdb::NmrOneD 256324 Specdb::NmrOneD 256325 Specdb::NmrOneD 256326 Specdb::NmrOneD 256327 Lemon Type 1 specific Citrus limon 2708 jasmine