LMFA03110009
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
   12.0719    7.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8428    7.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0719    6.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2952    7.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5183    7.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414    7.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9643    7.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1874    7.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4104    7.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6336    7.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    7.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4249    6.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7702    6.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6336    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4104    5.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1874    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9643    5.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5183    5.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2952    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8492    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    8.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9643    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  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  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  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
 10 14  1  0  0  0  0
 11 23  2  0  0  0  0
 13 24  1  6  0  0  0
 17 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03110009

> <COMMON_NAME>
8-iso-15-keto-PGE2

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

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRTJDWROBKPZNV-RSNVZYGJSA-N

> <INCHI>
InChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1

> <SMILES>
C(CCC/C=C\C[C@H]1[C@@H](/C=C/C(=O)CCCCC)[C@H](O)CC1=O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB02341

> <CHEBI_ID>
172574

> <ABBREVIATION>
FA 20:5;O3

> <CAYMAN_ID>
14390

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061134

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$