LMFA03010231
  LIPID_MAPS_STRUCTURE_DATABASE

 32 32  0     0  0            999 V2000
    8.9527    9.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9527   10.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9859   10.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3886    9.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9859    8.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   10.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6554    8.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5356    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4159    8.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2962    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1765    8.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0568    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9371    8.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719   11.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5356    7.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    7.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    7.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9113    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    6.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3804    6.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3804    5.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2251    7.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5442   10.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4297   10.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2745   10.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1192   10.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9638   10.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8085   10.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6532   10.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8085   11.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4979   10.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  6     0  0
  1  7  1  1     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  3 15  1  6     0  0
  9 16  1  6     0  0
  5 17  1  6     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 16 21  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
  6 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  2  0     0  0
 30 32  1  0     0  0
M  END
> <LM_ID>
LMFA03010231

> <COMMON_NAME>
Sarcoehrendin J

> <SYSTEMATIC_NAME>
methyl 9S-hydroxy-11R,15S-diacetoxy-13E-prostenoate

> <FORMULA>
C25H42O7

> <MASS>
454.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UCDVJJUZUIUYBP-WUSXKSSPSA-N

> <INCHI>
InChI=1S/C25H42O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h15-16,20-24,28H,5-14,17H2,1-4H3/b16-15+/t20-,21+,22+,23-,24+/m0/s1

> <SMILES>
[C@H]1(/C=C/[C@@H](OC(C)=O)CCCCC)[C@H](OC(=O)C)C[C@H](O)[C@@H]1CCCCCCC(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 25:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118713852

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
358800

> <CITATION>
25075977

$$$$