LMFA12000357
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0     0  0            999 V2000
   -5.1127    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3306    1.0249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8487    2.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    2.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.9994    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3106    2.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    2.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1890    1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947    0.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    0.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    0.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    0.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1127    0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -1.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619   -1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619   -2.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455   -1.0157    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
  1  4  2  0     0  0
  3  5  2  0     0  0
  4  5  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  6  9  2  0     0  0
  8 10  2  0     0  0
  9 10  1  0     0  0
  3  6  1  0     0  0
  8 11  1  0     0  0
 11 12  3  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 16 18  1  0     0  0
 13 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
M  END
> <LM_ID>
LMFA12000357

> <COMMON_NAME>
4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diyl diacetate

> <SYSTEMATIC_NAME>
4-([2,2'-bithiophen]-5-yl)but-3-yne-1,2-diyl diacetate

> <FORMULA>
C16H14O4S2

> <MASS>
334.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RGIIXLVKXLFDLP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O4S2/c1-11(17)19-10-13(20-12(2)18)5-6-14-7-8-16(22-14)15-4-3-9-21-15/h3-4,7-9,13H,10H2,1-2H3

> <SMILES>
C1=CC=C(C2=CC=C(C#CC(OC(C)=O)COC(C)=O)S2)S1

> <KEGG_ID>
C04606

> <HMDB_ID>
-

> <CHEBI_ID>
16013

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440404

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$