LMFA03120011
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    8.8935    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8935    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9424    8.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9424    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7025    8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7025    6.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5685    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6333    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5685    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3005    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1664    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0324    7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8984    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7025    9.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5684   10.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4345    9.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3005   10.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1664    9.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0324   10.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8984    9.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7644   10.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0324   11.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    7.8605    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8935    6.3606    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
  6 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  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
 23 22  1  0  0  0  0
 21 24  2  0  0  0  0
  4 25  1  0  0  0  0
  1 26  1  6  0  0  0
M  END
> <LM_ID>
LMFA03120011

> <COMMON_NAME>
Chlorovulone IV

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

> <FORMULA>
C21H29O4Cl

> <MASS>
380.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CTIZPKYMYVPNGA-RAUOOXNLSA-N

> <INCHI>
InChI=1S/C21H29ClO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13+/t21-/m1/s1

> <SMILES>
[C@@]1(O)(C/C=C\CCCCC)C=C(Cl)C(=O)/C/1=C\C=C/CCCC(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283225

> <LIPIDBANK_ID>
XPR8011

> <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]; Halogenated fatty acids [FA0109]; Carbocyclic fatty acids [FA0114]

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

> <TAXONOMY>
153213

> <CITATION>
-

$$$$