HMDB0040170
     RDKit          3D
(Methylthio)acetone
 14 13  0  0  0  0  0  0  0  0999 V2000
    2.5457    0.6565   -0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    0.6601   -0.3424 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -0.8471    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412   -0.7368    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845    0.4171   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1001   -1.6954    0.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743    1.7352   -0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157    0.1365   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    0.2643    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3189   -1.7503   -0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3907   -1.0219    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6214    1.0069   -1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    1.0860    0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693    0.0889   -0.6463 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
  4  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  5 12  1  0
  5 13  1  0
  5 14  1  0
M  END