LMFA07040146
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0     0  0            999 V2000
   -3.0957   -0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8668   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7524   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6380   -0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5235   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4091   -1.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2947   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1801   -2.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957   -1.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2741    0.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4595    0.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5342   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8216   -3.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  2  0     0  0
  4  5  1  6     0  0
  5  6  3  0     0  0
  6  7  1  0     0  0
  7  8  3  0     0  0
  8  9  1  0     0  0
  1 10  1  0     0  0
  2 11  1  0     0  0
  4 12  1  1     0  0
  1 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 10  1  0     0  0
 15 16  2  0     0  0
M  END
> <LM_ID>
LMFA07040146

> <COMMON_NAME>
Odyssin

> <SYSTEMATIC_NAME>
5,6-dodecadiene-8,10-diyn-4-olide

> <FORMULA>
C12H10O2

> <MASS>
186.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YKVMBZUGPYHYLZ-RGENBBCFSA-N

> <INCHI>
InChI=1S/C12H10O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6,8,11H,9-10H2,1H3/t7-,11?/m0/s1

> <SMILES>
C1(CCC(=O)O1)C([H])=[C@]=C([H])C#CC#CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 12:7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12313690

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
38240

> <CITATION>
-

$$$$