LMFA12000360
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0     0  0            999 V2000
   -1.5814    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    0.2602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616    0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452    0.2347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2374   -0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4666    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2374   -0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1226   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1226   -1.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0080   -1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.2509    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1226   -1.7844    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
  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
  1 13  1  0     0  0
 13 14  3  0     0  0
 14 15  1  0     0  0
 12 16  1  0     0  0
 15 17  3  0     0  0
 17 18  1  0     0  0
 16 19  1  0     0  0
 16 20  1  0     0  0
M  END
> <LM_ID>
LMFA12000360

> <COMMON_NAME>
1-chloro-3-(5'-(penta-1,3-diyn-1-yl)-[2,2'-bithiophen]-5-yl)prop-2-yn-1-ol

> <SYSTEMATIC_NAME>
1-chloro-3-(5'-(penta-1,3-diyn-1-yl)-[2,2'-bithiophen]-5-yl)prop-2-yn-1-ol

> <FORMULA>
C16H9OS2Cl

> <MASS>
315.98

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OYLJCCZNUIYGGT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H9ClOS2/c1-2-3-4-5-12-6-9-14(19-12)15-10-7-13(20-15)8-11-16(17)18/h6-7,9-10,16,18H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169920

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812258

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55843

> <CITATION>
18387369

$$$$