LMFA02010016
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0  0  0  0  0  0  0  0999 V2000
   10.1438    7.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3689    6.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940    7.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8191    6.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0442    7.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    6.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4944    7.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0639    6.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083    5.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    5.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0442    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8191    5.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3689    5.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1438    5.5379    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
    9.3689    6.2660    0.0000 O   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
  6  5  1  6  0  0  0
  6  7  1  0  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  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 10  1  0  0  0  0
  9 16  2  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <LM_ID>
LMFA02010016

> <COMMON_NAME>
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid

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

> <FORMULA>
C14H24O3

> <MASS>
240.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MQWNXLZVXAQZES-RYUDHWBXSA-N

> <INCHI>
InChI=1S/C14H24O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h11-12H,2-10H2,1H3,(H,16,17)/t11-,12-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165751

> <ABBREVIATION>
FA 14:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061081

> <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>
-

$$$$