LMFA03110105
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
   11.3507    7.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736    7.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3507    6.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6222    7.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8934    7.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1646    7.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    7.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073    7.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9785    7.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2973    7.1469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4976    7.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4976    6.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2973    6.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9785    5.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360    5.8211    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
    9.8934    5.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6222    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3510    5.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0796    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 14  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  1  0  0  0  0
 14 15  2  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
 13 23  2  0  0  0  0
 10  9  1  1  0  0  0
M  END
> <LM_ID>
LMFA03110105

> <COMMON_NAME>
ent-15-deoxy-J2-IsoP

> <SYSTEMATIC_NAME>
11-oxo-5Z,9,12E,14E-prostatetraenoic acid-cyclo[8R,12]

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
ent-15-deoxy-d-12,14-PGJ2; 8-iso-15-deoxy-PGJ2; 8-iso-15-deoxy-d-12,14-PGJ2

> <INCHI_KEY>
VHRUMKCAEVRUBK-UPNCTVPKSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11324555

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$