LMFA03010241
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   14.2270    8.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1551    9.1539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2270    7.9168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2920    9.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567    8.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4214    9.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4857    8.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5503    8.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    9.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6797    8.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7442    9.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    8.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6402    7.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6797    7.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5503    7.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4857    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4214    7.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2920    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2274    7.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1629    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.8009    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  6  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  2  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
 13 23  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010241

> <COMMON_NAME>
15-deoxyprostaglandin J3

> <SYSTEMATIC_NAME>
11-oxo-5Z,9Z,12E,14E,17Z-prostatetraenoic acid

> <FORMULA>
C20H26O3

> <MASS>
314.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-deoxy-delta-12,14-prostaglandin J3; 15-deoxyPGJ3

> <INCHI_KEY>
QFTYCAAGCUOJNG-KRXWQEJVSA-N

> <INCHI>
InChI=1S/C20H26O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,13,15-17H,2,5,8,11-12,14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6+,18-13+/t17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140223

> <ABBREVIATION>
FA 20:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
117990534

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
8521497

$$$$