LMFA03110063
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
   13.4438    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1590    7.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4438    8.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7233    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0025    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2817    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    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    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3985    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6777    7.1986    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  0  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    6.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831    6.3003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9569    5.8149    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
    8.3985    5.8149    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    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  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  1  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
 16 23  2  0  0  0  0
M  END
> <LM_ID>
LMFA03110063

> <COMMON_NAME>
ent-8-deoxy-J2-IsoP

> <SYSTEMATIC_NAME>
14-oxo-5Z,8E,10E,12-prostatetraenoic acid-cyclo[11,15R]

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JTSWNPYSJJAOQQ-BEJNIAJHSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-3-9-13-18-17(15-16-19(18)21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,12,15-16,18H,2-3,5,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,10-7+,17-12-/t18-/m1/s1

> <SMILES>
C(CCC/C=C\C/C=C/C=C1/C=CC(=O)[C@@H]/1CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921959

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$