LMFA12000339
  LIPID_MAPS_STRUCTURE_DATABASE

 10 10  0     0  0            999 V2000
   -2.0494    0.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   -0.3074    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180    0.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2478   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7872    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494   -1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503   -0.2813    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
  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  2  0     0  0
  1 10  1  0     0  0
M  END
> <LM_ID>
LMFA12000339

> <COMMON_NAME>
MeBBT

> <SYSTEMATIC_NAME>
2-(but-3-en-1-yn-1-yl)-5-methylthiophene

> <FORMULA>
C9H8S

> <MASS>
148.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRIWLPYXZBTORH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H8S/c1-3-4-5-9-7-6-8(2)10-9/h3,6-7H,1H2,2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812250

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$