LMFA12000354
  LIPID_MAPS_STRUCTURE_DATABASE

 15 16  0     0  0            999 V2000
   -4.2671    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4780   -0.2527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7515    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0005    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -0.2784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4399    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2671   -1.2821    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
 14 15  1  0     0  0
M  END
> <LM_ID>
LMFA12000354

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

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

> <FORMULA>
C12H10OS2

> <MASS>
234.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASKPCVROMAYWEF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2

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

> <KEGG_ID>
C04486

> <HMDB_ID>
HMDB0034453

> <CHEBI_ID>
16887

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440357

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55843

> <CITATION>
18387369

$$$$