LMFA03010195
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.0369    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1116    7.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4474    7.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7833    7.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7759    7.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221    8.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011    8.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5690    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2800    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7019    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1238    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8348    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5459    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047    9.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047   10.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7158   10.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4266   10.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1376   10.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8487   10.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6390   10.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580    9.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6390   11.1817    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
  3  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  6  0  0  0
  2  9  1  1  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 17  1  6  0  0  0
  1 18  1  6  0  0  0
  7 19  2  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010195

> <COMMON_NAME>
Dihomo-PGI2

> <SYSTEMATIC_NAME>
6,9S-epoxy-11R,15S-dihydoxy-5Z,13E-1a,1b-dihomo-prostadienoic acid

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Dihomo-Prostaglandin I2

> <INCHI_KEY>
ITVMMMCBRSJVKT-HSGSPTTCSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-2-3-6-9-16(23)12-13-18-19-14-17(27-21(19)15-20(18)24)10-7-4-5-8-11-22(25)26/h10,12-13,16,18-21,23-24H,2-9,11,14-15H2,1H3,(H,25,26)/b13-12+,17-10-/t16-,18+,19+,20+,21-/m0/s1

> <SMILES>
[C@@H]1(O)C[C@@H]2O/C(=C\CCCCCC(=O)O)/C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165328

> <ABBREVIATION>
FA 22:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607297

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$