LMFA12000348
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0     0  0            999 V2000
   -0.6878    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0978    0.2481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8209    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753    0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4226    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5753    0.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628   -0.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3502   -0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3502   -0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2377   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1252   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2377   -0.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.6742    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3502   -1.6990    0.0000 O   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
  9 12  3  0     0  0
 12 13  1  0     0  0
 11 14  1  0     0  0
 14 15  1  0     0  0
 11 16  1  0     0  0
M  END
> <LM_ID>
LMFA12000348

> <COMMON_NAME>
1-chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol

> <SYSTEMATIC_NAME>
1-chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol

> <FORMULA>
C13H9OSCl

> <MASS>
248.01

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YSYBCKHAFOAQDX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315834

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$