LMFA03120007
  LIPID_MAPS_STRUCTURE_DATABASE

 36 36  0     0  0            999 V2000
    7.5996    8.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5996    9.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6486   10.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6486    8.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087   10.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    8.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   11.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2748    8.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1409    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0069    8.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8729    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7389    8.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6050    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3408    8.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087   11.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   12.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   13.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1408   13.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0068   13.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728   13.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728   14.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7389   13.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049   13.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087   13.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087   14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   15.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5427   15.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0480    7.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7891    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0138    7.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4710    8.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3370    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2031    8.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3370    7.4119    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  0  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
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  1 16  1  1  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 33 15  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120007

> <COMMON_NAME>
20-acetoxy-clavulone III

> <SYSTEMATIC_NAME>
methyl 4R,12S,20-triacetoxy-9-oxo-5E,7Z,10Z,13Z-prostatetraenoate-cyclo[8,12]

> <FORMULA>
C27H36O9

> <MASS>
504.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LHIPZWGSDUHLAW-KAJQFPCGSA-N

> <INCHI>
InChI=1S/C27H36O9/c1-20(28)34-19-10-8-6-5-7-9-17-27(36-22(3)30)18-16-25(31)24(27)13-11-12-23(35-21(2)29)14-15-26(32)33-4/h7,9,11-13,16,18,23H,5-6,8,10,14-15,17,19H2,1-4H3/b9-7-,12-11+,24-13+/t23-,27-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 27:9;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283221

> <LIPIDBANK_ID>
XPR8007

> <ALT_CATEGORIES>
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]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
153213

> <CITATION>
-

$$$$