LMFA03120017
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
    7.6006    9.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006   10.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489   10.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6489    8.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4102   10.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4102    8.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2769    8.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395   11.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2775    8.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1440    8.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0107    8.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8773    8.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7439    8.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6105    8.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    8.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0241    7.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7902    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    7.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4102   11.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2768   12.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2768   13.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2245   13.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2245   14.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2768   14.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988   13.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9569   15.6590    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
  1 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  6  0  0  0
 25 27  2  0  0  0  0
M  END
> <LM_ID>
LMFA03120017

> <COMMON_NAME>
clavulolactone III

> <SYSTEMATIC_NAME>
9-oxo-12S-acetoxy-5E,7Z,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-PLWPPGCESA-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]1OC(=O)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197144

> <ABBREVIATION>
FA 22:8;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283231

> <LIPIDBANK_ID>
XPR8036

> <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>
-

$$$$