LMFA12000338
  LIPID_MAPS_STRUCTURE_DATABASE

  9  9  0     0  0            999 V2000
    3.1500   -2.9257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -1.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4230   -3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  1  1  0     0  0
  5  6  1  0     0  0
  6  7  3  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
M  END
> <LM_ID>
LMFA12000338

> <COMMON_NAME>
BBT

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

> <FORMULA>
C8H6S

> <MASS>
134.02

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JJQZLHWGVUNQSB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H6S/c1-2-3-5-8-6-4-7-9-8/h2,4,6-7H,1H2

> <SMILES>
S1C(C#CC=C)=CC=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11829492

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$