LMFA12000344
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   -3.7885    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041    0.9768    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2820    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287    1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2437    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    0.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023    1.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2437   -0.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -1.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -2.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  1  5  2  0     0  0
  3  6  2  0     0  0
  5  6  1  0     0  0
  4  7  3  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
  8 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 15 17  1  0     0  0
M  END
> <LM_ID>
LMFA12000344

> <COMMON_NAME>
BBT(OAc)2

> <SYSTEMATIC_NAME>
4-(thiophen-2-yl)but-3-yne-1,2-diyl diacetate

> <FORMULA>
C12H12O4S

> <MASS>
252.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RCNINEVKEXQMGM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H12O4S/c1-9(13)15-8-11(16-10(2)14)5-6-12-4-3-7-17-12/h3-4,7,11H,8H2,1-2H3

> <SMILES>
C1=CC=C(C#CC(OC(C)=O)COC(C)=O)S1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812254

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$