LMFA12000367
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0     0  0            999 V2000
   -2.3752    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779   -0.8467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -0.8349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663    0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809    0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909    0.7260    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  2  0     0  0
  2 11  1  0     0  0
 10 12  1  0     0  0
M  END
> <LM_ID>
LMFA12000367

> <COMMON_NAME>
(E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-ol

> <SYSTEMATIC_NAME>
(E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-ol

> <FORMULA>
C9H8OS2

> <MASS>
196.00

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AMOVFPFRVKPFHP-XVNBXDOJSA-N

> <INCHI>
InChI=1S/C9H8OS2/c1-8-5-6-9(12-11-8)4-2-3-7-10/h3,5-7,10H,1H3/b7-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812262

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$