LMFA12000370
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
   -1.3311    0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749   -0.4756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947   -0.9703    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4328   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -0.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -1.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9321    1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8016    2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9321   -2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -1.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  5  7  1  0     0  0
  3  4  1  0     0  0
  7  8  3  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  2 11  1  0     0  0
 11 12  3  0     0  0
 12 13  1  0     0  0
 10 14  1  0     0  0
 14 15  2  0     0  0
M  END
> <LM_ID>
LMFA12000370

> <COMMON_NAME>
(E)-3-(hexa-3,5-dien-1-yn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine

> <SYSTEMATIC_NAME>
(E)-3-(hexa-3,5-dien-1-yn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine

> <FORMULA>
C13H10S2

> <MASS>
230.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VWFQWQAMVFRICV-AATRIKPKSA-N

> <INCHI>
InChI=1S/C13H10S2/c1-3-5-6-7-9-13-11-10-12(8-4-2)14-15-13/h3,5-6,10-11H,1H2,2H3/b6-5+

> <SMILES>
C1C=C(C#C/C=C/C=C)SSC=1C#CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6442699

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$