LMFA03010301
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    8.0085    7.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0085    8.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    9.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4503    8.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    7.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8278    9.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7049    9.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5818    9.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4588    9.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3358    9.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2128    9.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8278    7.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7049    7.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5818    7.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4588    7.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3358    7.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3128    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1898    7.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2668    7.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5818    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7049    8.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3358   10.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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
  1 12  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  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
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
  5 22  1  6  0  0  0
  7 23  2  0  0  0  0
 10 24  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010301

> <COMMON_NAME>
Delta17-2,3-dinor, 6-keto-PGF1alpha

> <SYSTEMATIC_NAME>
6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E,17Z-prostadienoic acid

> <FORMULA>
C18H28O6

> <MASS>
340.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Delta17-2,3-dinor, 6-keto-Prostaglandin F1alpha

> <INCHI_KEY>
CUUJOWFVENYEFV-VXRPEJMWSA-N

> <INCHI>
InChI=1S/C18H28O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h3-4,6,8,12,14-17,19,21-22H,2,5,7,9-11H2,1H3,(H,23,24)/b4-3-,8-6+/t12-,14+,15+,16+,17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
6318123

$$$$