LMFA12000373
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0     0  0            999 V2000
   -0.8972    1.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601    1.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7419    0.0264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -0.4688    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782   -0.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543   -0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305   -1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009   -1.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009    1.0026    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
  2 10  1  0     0  0
  9 11  2  0     0  0
 10 12  1  0     0  0
M  END
> <LM_ID>
LMFA12000373

> <COMMON_NAME>
(6-(but-3-en-1-yn-1-yl)-1,2-dithiin-3-yl)methanol

> <SYSTEMATIC_NAME>
(6-(but-3-en-1-yn-1-yl)-1,2-dithiin-3-yl)methanol

> <FORMULA>
C9H8OS2

> <MASS>
196.00

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VCJIAKKCOXIPRO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H8OS2/c1-2-3-4-8-5-6-9(7-10)12-11-8/h2,5-6,10H,1,7H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812266

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$