LMFA12000368
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
   -3.2434    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7482   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2461   -1.5408    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2392   -1.5290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0023    0.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7562   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    0.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832    0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8832    1.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7562    0.0288    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
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
M  END
> <LM_ID>
LMFA12000368

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

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

> <FORMULA>
C11H10O2S2

> <MASS>
238.01

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YSTPFCQUDPONSV-XBXARRHUSA-N

> <INCHI>
InChI=1S/C11H10O2S2/c1-9-6-7-11(15-14-9)5-3-4-8-13-10(2)12/h4,6-8H,1-2H3/b8-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187131

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812263

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$