LMFA03120044
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0     0  0            999 V2000
    8.9149    7.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9149    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558    8.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3630    7.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558    6.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7307    8.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6040    8.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7307    6.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6040    6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6441    9.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6124    6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4857    6.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3590    6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2406    6.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1138    6.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    7.5389    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7307    9.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2349   10.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7307   11.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2433   10.5175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6124    8.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4857    8.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3590    8.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2322    8.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1055    8.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9788    8.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8521    8.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1055    7.3753    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  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
 13 15  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
  6 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  7 23  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120044

> <COMMON_NAME>
punaglandin 7

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

> <FORMULA>
C23H31O6Cl

> <MASS>
438.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NIDLGDABFKVBNX-HTGIGNFXSA-N

> <INCHI>
InChI=1S/C23H31ClO6/c1-4-5-6-7-8-12-15-23(28)16-18(24)22(27)21(23)19(30-17(2)25)13-10-9-11-14-20(26)29-3/h5-6,8,10,12-13,16,19,21,28H,4,7,9,11,14-15H2,1-3H3/b6-5-,12-8-,13-10-/t19-,21-,23+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169636

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283259

> <LIPIDBANK_ID>
XPR8032

> <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

$$$$