LMFA12000347
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0     0  0            999 V2000
   -2.0261    0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378    0.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121    0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    0.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7782    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9168    0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8074   -0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6980   -0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1356   -0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168   -1.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6980   -1.2295    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
  1  7  1  0     0  0
  7  8  3  0     0  0
  8  9  1  0     0  0
  4 10  3  0     0  0
 10 11  1  0     0  0
 11 12  3  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
M  END
> <LM_ID>
LMFA12000347

> <COMMON_NAME>
2-(hexa-5-en-1,3-diyn-1-yl)-5-(prop-1-yn-1-yl)thiophene

> <SYSTEMATIC_NAME>
2-(hexa-5-en-1,3-diynyl)-5-(propynyl)-thiophene

> <FORMULA>
C13H8S

> <MASS>
196.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CHXZRHMQQRUVHF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H8S/c1-3-5-6-7-9-13-11-10-12(14-13)8-4-2/h3,10-11H,1H2,2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100448

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55843

> <CITATION>
18387369

$$$$