LMFA03120034
  LIPID_MAPS_STRUCTURE_DATABASE

 37 37  0     0  0            999 V2000
    8.9469    8.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9469    9.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9758   10.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3757    9.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9758    8.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7730   10.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6572    9.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7730    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6572    8.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6603   11.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6782    8.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5623    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4466    8.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6826    7.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5414   10.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4256    9.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3099   10.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1940    9.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0782   10.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625    9.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0782   11.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8466   10.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3546    9.2655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5414   11.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6572    9.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519   12.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0729   12.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5414   13.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5414    9.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4256    9.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5414    9.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3308    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2150    8.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0992    8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4046    7.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    6.0606    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  2  0  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
 14 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <LM_ID>
LMFA03120034

> <COMMON_NAME>
12R-acetoxy-punaglandin 4

> <SYSTEMATIC_NAME>
methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7E,10E,14Z-prostatrienoate-cyclo[8,12R]

> <FORMULA>
C27H37O9Cl

> <MASS>
540.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ANXQDHSEXVYWJM-KUSXHKPHSA-N

> <INCHI>
InChI=1S/C27H37ClO9/c1-6-7-8-9-10-11-15-27(37-20(4)31)17-22(28)26(33)21(27)16-24(36-19(3)30)23(35-18(2)29)13-12-14-25(32)34-5/h10-11,16-17,23-24H,6-9,12-15H2,1-5H3/b11-10-,21-16-/t23-,24-,27+/m0/s1

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

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283249

> <LIPIDBANK_ID>
XPR8022

> <ALT_CATEGORIES>
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]

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

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
360972

> <CITATION>
7857405

$$$$