LMFA12000356
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    2.0404    0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487   -0.2490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    0.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -0.2743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352    0.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7638    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9291   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7169   -1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6056   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291   -0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    0.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118   -0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -1.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6056    0.2835    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  2  0     0  0
  1 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 17 19  1  0     0  0
M  END
> <LM_ID>
LMFA12000356

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

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

> <FORMULA>
C15H12O2S2

> <MASS>
288.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SYEWLUATUDURPR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O2S2/c1-3-4-5-12-6-8-14(18-12)15-9-7-13(19-15)10-17-11(2)16/h3,6-9H,1,10H2,2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191930

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315563

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$