LMFA03120063
  LIPID_MAPS_STRUCTURE_DATABASE

 33 33  0     0  0            999 V2000
    7.6176    9.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6176   10.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6583   10.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    9.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6583    8.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336   10.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3072   10.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    8.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3072    8.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   11.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3159   10.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1895   10.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0631   10.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9366   10.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8103   10.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6837   10.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8103    9.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5572   10.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3565    8.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1895   11.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629   12.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629   13.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9366   11.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829    7.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2055    6.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7867    7.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    8.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    8.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9053    8.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7713    8.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373    8.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5033    8.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1733    7.4388    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
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  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
 16 18  1  0  0  0  0
  1 19  1  1  0  0  0
 12 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
  9 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 27 33  2  0     0  0
M  END
> <LM_ID>
LMFA03120063

> <COMMON_NAME>
clavulone I-15-one

> <SYSTEMATIC_NAME>
methyl 4R-acetoxy-9,15-dioxo-5Z,7E,10Z,13E-prostatetraenoate-cyclo[8,12]

> <FORMULA>
C25H32O8

> <MASS>
460.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LZEVVCKOZUJEGL-XFFHMXRHSA-N

> <INCHI>
InChI=1S/C25H32O8/c1-5-6-7-9-20(28)14-16-25(33-19(3)27)17-15-23(29)22(25)11-8-10-21(32-18(2)26)12-13-24(30)31-4/h8,10-11,14-17,21H,5-7,9,12-13H2,1-4H3/b10-8-,16-14+,22-11-/t21-,25-/m0/s1

> <SMILES>
[C@]1(OC(=O)C)(/C=C/C(=O)CCCCC)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;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328143

> <LIPIDBANK_ID>
-

> <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>
38786610

$$$$