LMFA12000361
  LIPID_MAPS_STRUCTURE_DATABASE

 16 17  0     0  0            999 V2000
   -2.9247    0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370   -0.2522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117    0.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777    1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683    0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4194   -0.2779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1024    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347   -0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8146   -0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7047    0.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9247   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7047   -0.7661    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
  1 12  1  0     0  0
 12 13  1  0     0  0
 11 14  3  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
M  END
> <LM_ID>
LMFA12000361

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

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

> <FORMULA>
C13H10OS2

> <MASS>
246.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OWMCNWKJRDTTBD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H10OS2/c1-2-3-4-10-5-7-12(15-10)13-8-6-11(9-14)16-13/h2,5-8,14H,1,9H2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193289

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24066914

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$