LMFA03010202
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  0     0  0            999 V2000
    7.6704    9.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6704   10.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756   10.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756    9.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5169   11.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230   10.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5169    8.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3289    8.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2349    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    8.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0469    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9531    8.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8592    9.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4558   11.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3289    7.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4691   10.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   11.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2813   10.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1871   11.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0932   10.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9993   11.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0932    9.6469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7138   10.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9052    7.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5471    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1427    7.0026    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  2  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
  1  8  1  1  0  0  0
  8  9  2  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  1  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  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010202

> <COMMON_NAME>
15R-PGA2 methyl ester, 15-acetate

> <SYSTEMATIC_NAME>
methyl 9-oxo-11R-hydroxy-15R-acetoxy-5Z,10,13E-prostatrienoate

> <FORMULA>
C23H34O5

> <MASS>
390.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15R-Prostaglandin A2 methyl ester, 15-acetate

> <INCHI_KEY>
KURMKPDMINCWHJ-QPBHISEGSA-N

> <INCHI>
InChI=1S/C23H34O5/c1-4-5-8-11-20(28-18(2)24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-3/h6,9,14-17,19-21H,4-5,7-8,10-13H2,1-3H3/b9-6-,16-14+/t19-,20+,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168746

> <ABBREVIATION>
FA 23:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607302

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
47982

> <CITATION>
4391762

$$$$