HMDB0039465
     RDKit          3D
S-Methyl hexanethioate
 23 22  0  0  0  0  0  0  0  0999 V2000
   -4.0216    0.2496    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6291   -0.3739    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637    0.5462    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -0.0921    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684    0.6870   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514   -0.0511   -0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1184   -1.1078    0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714    0.5833   -1.1066 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606   -0.5017   -0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7278   -0.5041    1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1903    0.5032   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0040    1.1168    1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157   -1.3880    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746   -0.4249    1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010    1.5644    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876    0.5315   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -0.1371    1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414   -1.0967   -0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378    0.8723   -1.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    1.6993   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2799   -0.4414    0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922   -0.2903   -1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6252   -1.5641   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END