LMFA03120043
  LIPID_MAPS_STRUCTURE_DATABASE

 34 34  0     0  0            999 V2000
    8.9515    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9515    8.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787    8.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3774    7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7790    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7790    6.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    6.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6879    6.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5737    6.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4595    6.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6868    6.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5508    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4367    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3225    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2082    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0941    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    8.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0941    9.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8657    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    7.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5508    9.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    7.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0622   10.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0850   10.5814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5508   11.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5508    7.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4367    7.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5508    8.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3453    6.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2311    6.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1170    6.4473    0.0000 C   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  1  0  0  0  0
  3 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  1 14  1  6  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
  4 23  1  0  0  0  0
 15 24  1  1  0  0  0
  7 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 32 13  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
> <LM_ID>
LMFA03120043

> <COMMON_NAME>
punaglandin 6

> <SYSTEMATIC_NAME>
methyl 5S,6S-diacetoxy-9-oxo-10-chloro-12S-hydroxy-10E,14Z-prostadienoate-cyclo[8R,12S]

> <FORMULA>
C25H37O8Cl

> <MASS>
500.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQSBPTWIGBVTJJ-WRXYSHGISA-N

> <INCHI>
InChI=1S/C25H37ClO8/c1-5-6-7-8-9-10-14-25(31)16-20(26)24(30)19(25)15-22(34-18(3)28)21(33-17(2)27)12-11-13-23(29)32-4/h9-10,16,19,21-22,31H,5-8,11-15H2,1-4H3/b10-9-/t19-,21-,22-,25+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186010

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283258

> <LIPIDBANK_ID>
XPR8031

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Halogenated fatty acids [FA0109]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -; -; -

> <TAXONOMY>
360972

> <CITATION>
7857405

$$$$