LMFA03110059
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0  0  0  0  0  0  0  0999 V2000
   13.4436    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1589    7.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4436    8.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7232    7.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0024    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2816    7.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5608    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8400    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1192    7.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3984    7.6115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6777    7.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831    7.1262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4920    7.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    6.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831    6.3002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9569    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6777    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3984    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1192    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8400    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3984    8.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  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
 13 12  1  6  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  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  1  1  0  0  0
 16 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03110059

> <COMMON_NAME>
8-J2-IsoP 

> <SYSTEMATIC_NAME>
8S-hydroxy-14-oxo-5Z,9E,12-prostatrienoic acid-cyclo[11R,15S]

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(8S)-8-J2-IsoP[11R,15S]

> <INCHI_KEY>
HZNAHHXOHNFXDH-UKUWKSPLSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-6-10-18-16(13-15-19(18)22)12-14-17(21)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193171

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921955

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$