LMFA12000342
  LIPID_MAPS_STRUCTURE_DATABASE

 13 13  0     0  0            999 V2000
   -3.8158    0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0257   -0.3046    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984    0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471   -0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381   -0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306   -1.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232   -0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8158   -1.2322    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  2  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
M  END
> <LM_ID>
LMFA12000342

> <COMMON_NAME>
BBTOAc

> <SYSTEMATIC_NAME>
(E)-4-(thiophen-2-yl) but-1-en-3-yn-1-yl acetate

> <FORMULA>
C10H8O2S

> <MASS>
192.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CNZCVNNPCHACGO-XVNBXDOJSA-N

> <INCHI>
InChI=1S/C10H8O2S/c1-9(11)12-7-3-2-5-10-6-4-8-13-10/h3-4,6-8H,1H3/b7-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812252

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$