LMFA03120003
  LIPID_MAPS_STRUCTURE_DATABASE

 32 32  0     0  0            999 V2000
    7.5996    8.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5996    9.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485   10.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485    8.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086   10.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747    8.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394   11.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2747    8.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1407    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0067    8.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8728    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7387    8.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6048    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3408    8.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086   11.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   12.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   13.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1407   13.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0067   13.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727   13.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727   14.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7387   13.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6048   13.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086   13.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4086   14.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   15.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5426   15.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0479    7.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7890    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0137    7.5854    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
M  END
> <LM_ID>
LMFA03120003

> <COMMON_NAME>
clavulone III

> <SYSTEMATIC_NAME>
methyl 4R,12S-diacetoxy-9-oxo-5E,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-XJHMFZNOSA-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(C)=O)CCC(OC)=O

> <KEGG_ID>
C13813

> <HMDB_ID>
-

> <CHEBI_ID>
34644

> <ABBREVIATION>
FA 25:8;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282266

> <LIPIDBANK_ID>
XPR8003

> <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>
-

$$$$