LMFA02010011
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0  0  0  0  0  0  0  0999 V2000
    9.3782    6.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1489    7.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    6.1836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6018    7.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8252    6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0484    7.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2718    6.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    7.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636    6.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4088    5.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2718    5.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0484    5.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8252    5.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6018    5.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3785    5.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1553    5.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 11  1  0  0  0  0
 10 17  2  0  0  0  0
M  END
> <LM_ID>
LMFA02010011

> <COMMON_NAME>
(9S,13S)-1a,1b-dihomo-jasmonic acid

> <SYSTEMATIC_NAME>
(1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentanebutanoic acid

> <FORMULA>
C14H22O3

> <MASS>
238.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
12-oxophytodienoic acid metabolites [FA0201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LVQJNKFFJNUFNY-WGPFEIJOSA-N

> <INCHI>
InChI=1S/C14H22O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h3-4,11-12H,2,5-10H2,1H3,(H,16,17)/b4-3-/t11-,12-/m0/s1

> <SMILES>
C(CCC[C@@H]1[C@H](C/C=C\CC)C(=O)CC1)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184237

> <ABBREVIATION>
FA 14:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14311116

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
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]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$