LMFA03120016
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
    7.5989    8.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5989    9.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6482   10.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6482    8.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076   10.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2733   10.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4076    8.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2733    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393   11.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2728    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1384    8.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8697    8.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7354    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6011    8.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3401    8.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0221    7.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7882    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    7.5847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1389   10.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0046   10.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8088    9.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6218   10.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200   11.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205   11.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5874    9.8270    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  1  0  0  0  0
  3 10  2  0  0  0  0
  9 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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
  1 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 21  7  2  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120016

> <COMMON_NAME>
clavulolactone II

> <SYSTEMATIC_NAME>
9-oxo-12S-acetoxy-5E,7E,10Z,14Z-prostatetraenoic acid-1,4R-lactone-cylco[8,12]

> <FORMULA>
C22H28O5

> <MASS>
372.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Clavulones [FA0312]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HSBZTFDKHKMFDC-UQRHTPOFSA-N

> <INCHI>
InChI=1S/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9+,19-11-/t18-,22-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197090

> <ABBREVIATION>
FA 22:8;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283230

> <LIPIDBANK_ID>
XPR8035

> <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>
-

$$$$