LMFA12000372
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   -0.0269    0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8883    0.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8702   -0.4754    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -0.9698    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8711   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8528    0.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460   -0.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    1.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6266    1.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4957    2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3647   -1.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -2.0046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4957   -3.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3647    2.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2339    3.0082    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
  2 10  1  0     0  0
 10 11  3  0     0  0
 11 12  1  0     0  0
  9 13  1  0     0  0
 13 14  1  0     0  0
  9 15  1  0     0  0
 12 16  3  0     0  0
 16 17  1  0     0  0
M  END
> <LM_ID>
LMFA12000372

> <COMMON_NAME>
1-chloro-4-(6-(penta-1,3-diyn-1-yl)-1,2-dithiin-3-yl)but-3-yn-2-ol

> <SYSTEMATIC_NAME>
1-chloro-4-(6-(penta-1,3-diyn-1-yl)-1,2-dithiin-3-yl)but-3-yn-2-ol

> <FORMULA>
C13H9OS2Cl

> <MASS>
279.98

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JRGGVIXFQAVBFF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H9ClOS2/c1-2-3-4-5-12-8-9-13(17-16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812265

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$