LMFA03120018
  LIPID_MAPS_STRUCTURE_DATABASE

 32 32  0     0  0            999 V2000
    7.6117    9.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6117   10.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531   10.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    8.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271   10.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2999   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271    8.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2999    8.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3416   11.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1808   10.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9265   10.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7995   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6724   10.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7995    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078    8.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1807    8.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0534    8.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5452   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508    8.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0635    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8026    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0369    7.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1808   11.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0535   12.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0535   13.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9264   11.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0613    8.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9340    8.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8069    8.9318    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
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  2  0  0  0  0
  7 11  2  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 12 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
 20 30  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
> <LM_ID>
LMFA03120018

> <COMMON_NAME>
17,18-dehydro-clavulone I

> <SYSTEMATIC_NAME>
methyl 4R,12S-diacetoxy-9-oxo-5Z,7E,10Z,13Z,17Z-prostapentaenoate-cyclo[8,12]

> <FORMULA>
C25H32O7

> <MASS>
444.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VNMUCAJMMSZIGB-PMPMEWTASA-N

> <INCHI>
InChI=1S/C25H32O7/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/h6-7,9-13,16,18,21H,5,8,14-15,17H2,1-4H3/b7-6-,10-9-,12-11-,22-13-/t21-,25-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 25:9;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283232

> <LIPIDBANK_ID>
XPR8037

> <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>
10075785

$$$$