LMFA02020213
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
    5.9739    8.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6529    9.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7390    8.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7390    7.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6529    7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7316    7.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7867    9.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5140    8.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5140    8.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3627    9.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346    6.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5765    7.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4386    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2835    7.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1456    7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9905    7.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1627    6.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    7.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6975    7.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2142    8.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  2  0  0  0  0
  3  7  1  6  0  0  0
  6 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
 10 20  1  0     0  0
M  END
> <LM_ID>
LMFA02020213

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(1R,2R,2'E)-2-(5'-ethoxy-5'-oxo-2-penten-1-yl)-3-oxo-cyclopentane acetic acid methyl ester

> <FORMULA>
C15H22O5

> <MASS>
282.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DSPAYNUCMDGAJG-GKUNOOHESA-N

> <INCHI>
InChI=1S/C15H22O5/c1-3-20-14(17)7-5-4-6-12-11(8-9-13(12)16)10-15(18)19-2/h4-5,11-12H,3,6-10H2,1-2H3/b5-4+/t11-,12-/m1/s1

> <SMILES>
C1C(=O)[C@H](C/C=C/CC(=O)OCC)[C@@H](CC(OC)=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 15:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118572

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Dicarboxylic acids [FA0117]; Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -; -; -; -

> <TAXONOMY>
151069

> <CITATION>
33984432

$$$$