LMFA03110006
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.6023    6.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6023    7.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    7.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3225    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    6.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9954    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9954    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8763    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5965    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3168    6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8270    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9877    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7080    7.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4282    7.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7080    6.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5200    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  1  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  1  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
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110006

> <COMMON_NAME>
8-iso-PGF2beta

> <SYSTEMATIC_NAME>
9R,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PXGPLTODNUVGFL-HMALSPAFSA-N

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002115

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
16370

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283216

> <LIPIDBANK_ID>
XPR1796

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$