LMFA03120021
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
    7.6007    6.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6007    7.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489    6.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104    8.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2769    7.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4104    6.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2769    6.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    8.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    7.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1444    8.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2777    6.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1443    6.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0109    6.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8776    6.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442    6.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6108    6.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9434    7.6801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7634    8.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4712    9.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4708    9.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7093    7.9273    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  1  1  0  0  0
  6  7  1  0  0  0  0
  1  8  1  6  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
  9 13  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 12 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120021

> <COMMON_NAME>
preclavulone lactone I

> <SYSTEMATIC_NAME>
9-oxo-5Z,10Z,14Z-prostatrienoic acid-1,4R-lactone-cyclo[8S,12R]

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOEBLBXUQYAOAK-IKNFVWKPSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-3-4-5-6-7-9-16-12-14-19(21)18(16)11-8-10-17-13-15-20(22)23-17/h6-8,10,12,14,16-18H,2-5,9,11,13,15H2,1H3/b7-6-,10-8-/t16-,17+,18+/m1/s1

> <SMILES>
[C@@H]1(C/C=C\CCCCC)C=CC(=O)[C@H]1C/C=C\[C@H]1CCC(=O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283237

> <LIPIDBANK_ID>
XPR8040

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
153213

> <CITATION>
-

$$$$