LMFA03010156
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.6096    6.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6096    7.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8131    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3209    6.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8131    6.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0126    7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    6.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0126    6.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7380    6.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4633    6.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1887    6.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9141    6.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6395    6.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3649    6.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7380    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8502    7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5756    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3010    7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0264    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7517    7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4771    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2302    7.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8593    7.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2302    6.8947    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
  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
  3 16  1  6  0  0  0
 10 17  1  6  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010156

> <COMMON_NAME>
1a,1b-dihomo-PGD2

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

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1a,1b-dihomo-Prostaglandin D2

> <INCHI_KEY>
GTNCJTYUJPEVBG-IBMUKCOMSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-20,23-24H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061092

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$