LMFA03120038
  LIPID_MAPS_STRUCTURE_DATABASE

 37 37  0     0  0            999 V2000
    8.8936    8.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8936    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9425   10.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3546    9.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9425    8.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027   10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027    8.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687    8.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6334   10.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5687    8.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4348    8.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3008    8.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    7.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3546    9.1996    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7027   11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687   11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4346   11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3007   11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1666   11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0327   11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8988   11.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0327   12.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7647   11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687   12.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8367   11.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0687   13.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0687   13.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687   14.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8367   12.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9706   13.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027   13.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1668    8.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0327    8.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8988    8.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3419    7.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078    7.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0831    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
  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
  4 14  1  0  0  0  0
  6 15  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
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 16 24  1  1  0  0  0
 15 25  1  6  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 12  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <LM_ID>
LMFA03120038

> <COMMON_NAME>
12R-acetoxy-7Z-punaglandin 4

> <SYSTEMATIC_NAME>
methyl 5S,6S,12R-triacetoxy-9-oxo-10-chloro-7Z,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-MFZKBGAOSA-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>
5283253

> <LIPIDBANK_ID>
XPR8026

> <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

$$$$