LMFA03010238
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    7.6124    7.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124    8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6534    9.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6534    7.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4283    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4283    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1748    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0482    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9215    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7947    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6681    7.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5414    7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   10.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1748    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3100    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1832    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0566    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9299    9.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8031    9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6764    9.5628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8031    8.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5424    9.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  0  0  0  0
  6  7  1  0  0  0  0
  1  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  2  0  0  0  0
 10 17  1  6  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0     0  0
M  END
> <LM_ID>
LMFA03010238

> <COMMON_NAME>
13,14-dihydro-PGB2 methyl ester

> <SYSTEMATIC_NAME>
methyl 15S-hydroxy-9-oxo-5Z,8(12),-prostadienoate

> <FORMULA>
C21H34O4

> <MASS>
350.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13,14-dihydro Prostaglandin B2 methyl ester

> <INCHI_KEY>
LNDCKIOHWISYAW-MTIYJEKLSA-N

> <INCHI>
InChI=1S/C21H34O4/c1-3-4-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-6-9-12-21(24)25-2/h5,8,18,22H,3-4,6-7,9-16H2,1-2H3/b8-5-/t18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118778

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
358784

> <CITATION>
31430922

$$$$