LMFA03120035
  LIPID_MAPS_STRUCTURE_DATABASE

 34 34  0     0  0            999 V2000
    8.8936    7.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8936    8.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9424    8.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3546    7.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9424    6.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7026    8.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7026    6.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6334    9.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5686    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4346    6.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3006    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3007    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667    6.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0327    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3546    7.5266    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7026    9.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686   10.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346    9.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3006   10.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1666    9.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0327   10.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8987    9.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0327   11.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7647   10.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686   11.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8366   10.1145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0686   11.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0685   11.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5686   12.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8366   11.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9706   11.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7026   11.6143    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  2  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  3  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  1 13  1  6  0  0  0
 12 14  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
  4 17  1  0  0  0  0
  6 18  1  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
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 19 27  1  1  0  0  0
 18 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120035

> <COMMON_NAME>
7Z-punaglandin 3

> <SYSTEMATIC_NAME>
methyl 5S,6S-diacetoxy-9-oxo-10-chloro-12R-hydroxy-7Z,10E,14Z,17Z-prostatetraenoate-cyclo[8,12R]

> <FORMULA>
C25H33O8Cl

> <MASS>
496.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DWJPUNIYVACWRP-UAMRPQEESA-N

> <INCHI>
InChI=1S/C25H33ClO8/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/h6-7,9-10,15-16,21-22,31H,5,8,11-14H2,1-4H3/b7-6-,10-9-,19-15+/t21-,22-,25+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185976

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283250

> <LIPIDBANK_ID>
-

> <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

$$$$