LMFA12000374
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0     0  0            999 V2000
   -2.2029    1.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0475    0.5395    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1664    0.0443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    0.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3219    1.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274    0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249   -0.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1952   -0.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656   -0.9919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249   -1.9969    0.0000 O   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  1  0     0  0
 10 11  1  0     0  0
  9 12  1  0     0  0
M  END
> <LM_ID>
LMFA12000374

> <COMMON_NAME>
4-(1,2-dithiin-3-yl)but-3-yne-1,2-diol

> <SYSTEMATIC_NAME>
4-(1,2-dithiin-3-yl)but-3-yne-1,2-diol

> <FORMULA>
C8H8O2S2

> <MASS>
200.00

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UBVZZJXCDZSDPM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H8O2S2/c9-6-7(10)3-4-8-2-1-5-11-12-8/h1-2,5,7,9-10H,6H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812267

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$