LMFA03120040
  LIPID_MAPS_STRUCTURE_DATABASE

 35 36  0     0  0            999 V2000
    8.9551    7.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9551    8.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9809    8.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3788    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9809    6.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7839    8.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6709    8.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7839    6.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6709    6.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    9.3649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6951    6.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5822    6.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4692    6.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5579    8.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4449    8.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3320    8.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2189    8.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1060    8.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9929    8.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1060    9.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8800    8.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    7.5622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5579    9.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6709    7.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0700   10.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0943   10.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5579   11.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5579    7.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4449    7.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5579    8.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3562    6.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2431    6.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1303    6.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9567    6.7333    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  1  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  6  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
  5 35  1  1  0  0  0
  4 35  1  1  0  0  0
M  END
> <LM_ID>
LMFA03120040

> <COMMON_NAME>
10S,11R-epoxy-punaglandin 4

> <SYSTEMATIC_NAME>
methyl 5S,6S-diacetoxy-9-oxo-10S-chloro-10S,11R-epoxy-12S-hydroxy-7E,10E,14Z-prostatrienoate-cyclo[8,12R]

> <FORMULA>
C25H35O9Cl

> <MASS>
514.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HFXPAQIRUHKPTL-YPXOFSQSSA-N

> <INCHI>
InChI=1S/C25H35ClO9/c1-5-6-7-8-9-10-14-24(31)18(22(30)25(26)23(24)35-25)15-20(34-17(3)28)19(33-16(2)27)12-11-13-21(29)32-4/h9-10,15,19-20,23,31H,5-8,11-14H2,1-4H3/b10-9-,18-15-/t19-,20-,23+,24-,25-/m0/s1

> <SMILES>
[C@@]1(O)(C/C=C\CCCCC)[C@H]2O[C@@]2(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>
178687

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283255

> <LIPIDBANK_ID>
XPR8028

> <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]; Epoxy fatty acids [FA0107]; Halogenated fatty acids [FA0109]

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

> <TAXONOMY>
360972

> <CITATION>
7857405

$$$$