LMFA12000350
  LIPID_MAPS_STRUCTURE_DATABASE

 11 11  0     0  0            999 V2000
   -2.9395    0.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1451    0.2119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137    0.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6713    1.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6819    1.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1445   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395   -0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1445   -1.7573    0.0000 O   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
  8 11  1  0     0  0
M  END
> <LM_ID>
LMFA12000350

> <COMMON_NAME>
BBT(OH)2

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

> <FORMULA>
C8H8O2S

> <MASS>
168.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DJUPJQDYDPZCJZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H8O2S/c9-6-7(10)3-4-8-2-1-5-11-8/h1-2,5,7,9-10H,6H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187150

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
57292281

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$