LMFA03120004
  LIPID_MAPS_STRUCTURE_DATABASE

 32 32  0     0  0            999 V2000
    7.6105    9.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105   10.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526   10.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6526    8.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252   10.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2975    8.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3414   11.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3045    8.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0489    8.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9209    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7930    8.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6653    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    8.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0620    7.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8012    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0347    7.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252   11.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2974   12.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695   11.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   12.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9139   11.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7860   12.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6581   11.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5302   12.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695   10.8439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7860   13.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   10.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417    9.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9139   10.8439    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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  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
 22 28  1  1  0  0  0
 25 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120004

> <COMMON_NAME>
clavulone IV

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

> <FORMULA>
C25H34O7

> <MASS>
446.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QXSYLWTUKSQQCP-FKVRNRQVSA-N

> <INCHI>
InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13+/t21-,25-/m0/s1

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

> <KEGG_ID>
C13814

> <HMDB_ID>
-

> <CHEBI_ID>
34645

> <ABBREVIATION>
FA 25:8;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282267

> <LIPIDBANK_ID>
XPR8004

> <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>
-

$$$$