LMFA12000352
  LIPID_MAPS_STRUCTURE_DATABASE

 15 16  0     0  0            999 V2000
   -3.3755    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -0.2527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1263    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8147    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0256   -0.2784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2671   -0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2671   -0.2270    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
 11 12  3  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
  1 15  1  0     0  0
M  END
> <LM_ID>
LMFA12000352

> <COMMON_NAME>
5-(but-3-en-1-yn-1-yl)-5'-methyl-2,2'-bithiophene

> <SYSTEMATIC_NAME>
5-(but-3-en-1-yn-1-yl)-5'-methyl-2,2'-bithiophene

> <FORMULA>
C13H10S2

> <MASS>
230.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OZUJLEZCMIGWSN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H10S2/c1-3-4-5-11-7-9-13(15-11)12-8-6-10(2)14-12/h3,6-9H,1H2,2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3083681

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$