LMFA03010158
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.2942    6.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2942    7.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943    6.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746    7.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7029    7.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746    6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7029    6.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4313    6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    6.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8880    6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6163    6.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3447    6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0730    6.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4313    5.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439    7.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2723    7.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0006    7.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7290    7.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4573    7.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1858    7.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2345    5.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8536    7.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4921    7.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8536    6.9174    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  6  0  0  0
  6  7  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  2  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  1  6  0  0  0
  7 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010158

> <COMMON_NAME>
1a,1b-dihomo-PGJ2

> <SYSTEMATIC_NAME>
1a,1b-dihomo-11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid

> <FORMULA>
C22H34O4

> <MASS>
362.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1a,1b-dihomo-Prostaglandin J2

> <INCHI_KEY>
BVXBMWOFDUUSEM-VADMTLSYSA-N

> <INCHI>
InChI=1S/C22H34O4/c1-2-3-8-12-19(23)15-16-20-18(14-17-21(20)24)11-9-6-4-5-7-10-13-22(25)26/h6,9,14-20,23H,2-5,7-8,10-13H2,1H3,(H,25,26)/b9-6-,16-15+/t18-,19-,20+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165318

> <ABBREVIATION>
FA 22:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061093

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$