LMFA12000362
  LIPID_MAPS_STRUCTURE_DATABASE

 16 17  0     0  0            999 V2000
   -4.2597    0.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4719    0.2616    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7467    0.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936    1.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0127    1.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9156    0.2359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1903    0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374    1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563    1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4796   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3697   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4796   -1.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597   -0.7661    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
  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
 13 15  1  0     0  0
 14 16  1  0     0  0
M  END
> <LM_ID>
LMFA12000362

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

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

> <FORMULA>
C12H10O2S2

> <MASS>
250.01

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IMAVIDBJKACAND-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H10O2S2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,13-14H,8H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185990

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14186845

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$