LMFA02020005
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.8790    6.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    7.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2938    6.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5013    7.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0609    6.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132    5.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2938    5.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    5.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8790    5.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716    5.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    5.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2567    5.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8790    6.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5457    7.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  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  0  0  0  0
  3  7  1  0  0  0  0
  6 13  2  0  0  0  0
  1 14  2  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA02020005

> <COMMON_NAME>
(+)-7-epi--9,10-dihydrojasmonic acid

> <SYSTEMATIC_NAME>
(1S,2R)-3-oxo-2-pentyl-cyclopentaneacetic acid

> <FORMULA>
C12H20O3

> <MASS>
212.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Jasmonic acids [FA0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PQEYTAGBXNEUQL-VHSXEESVSA-N

> <INCHI>
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m0/s1

> <SMILES>
C(O)(=O)C[C@H]1[C@@H](CCCCC)C(=O)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180008

> <ABBREVIATION>
FA 12:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061083

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$