LMFA12000355
  LIPID_MAPS_STRUCTURE_DATABASE

 18 19  0     0  0            999 V2000
   -5.1347    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3492   -0.2515    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6261    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8695    1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8914    1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5859    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004   -0.2771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206    1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424    1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1898   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3599   -1.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2474   -0.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2474    0.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1347   -1.2762    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
M  END
> <LM_ID>
LMFA12000355

> <COMMON_NAME>
4-([2,2'-bithiophen]-5-yl)but-3-yn-1-yl acetate

> <SYSTEMATIC_NAME>
4-([2,2'-bithiophen]-5-yl)but-3-yn-1-yl acetate

> <FORMULA>
C14H12O2S2

> <MASS>
276.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KHPAKGUGOFYJNA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3

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

> <KEGG_ID>
C04485

> <HMDB_ID>
HMDB0034454

> <CHEBI_ID>
17181

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440356

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$