LMFA03110090
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
    9.1642    7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8872    7.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1642    6.5939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4358    7.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7070    7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    7.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2972    7.1468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4975    7.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4975    6.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2972    6.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7070    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4358    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1646    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8932    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6220    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3506    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0793    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8081    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5368    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2654    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2815    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
  7 11  1  0  0  0  0
  7  8  1  0  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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 23  2  0  0  0  0
  7  6  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110090

> <COMMON_NAME>
12-deoxy-J2-IsoP

> <SYSTEMATIC_NAME>
8-oxo-6,9E,11E,14Z-prostatetraenoic acid-cyclo[5S,9]

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZLXLLWHVBPUBML-MNOHRBOLSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-13-18-17(15-16-19(18)21)12-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b7-6-,10-9+,18-13+/t17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192961

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921986

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$