LMFA03010163
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
   13.2136    6.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2136    6.0296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4418    7.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6697    6.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8977    7.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1256    6.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536    7.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    6.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8095    6.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0374    7.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    6.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4932    6.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0644    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4075    5.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    5.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0374    5.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8095    5.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    5.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536    5.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1256    5.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8977    5.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6697    5.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4418    5.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7224    6.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  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  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 15  1  0  0  0  0
 14 24  2  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010163

> <COMMON_NAME>
1a,1b-dihomo-15-deoxy-delta-12,14-PGJ2

> <SYSTEMATIC_NAME>
1a,1b-dihomo-11-oxo-5Z,9,12E,14Z-prostatetraenoic acid

> <FORMULA>
C22H32O3

> <MASS>
344.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1a,1b-dihomo-15-deoxy-delta-12,14-Prostaglandin J2

> <INCHI_KEY>
MRZOOBUCSKTIRB-XVVYJDRNSA-N

> <INCHI>
InChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-20-19(17-18-21(20)23)14-11-8-6-7-10-13-16-22(24)25/h8-9,11-12,15,17-19H,2-7,10,13-14,16H2,1H3,(H,24,25)/b11-8-,12-9-,20-15+/t19-/m0/s1

> <SMILES>
C(O)(CCCCC/C=C\C[C@@H]1/C(=C\C=C/CCCCC)/C(=O)C=C1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061095

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$