HMDB0031316
     RDKit          3D
4-(Methylthio)-2-butanone
 17 16  0  0  0  0  0  0  0  0999 V2000
    3.1367   -0.2370    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356    1.0622   -0.5505 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    1.1886    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3696   -0.0125   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7107    0.1688    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7914   -0.8404    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605    1.1747    1.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.1344    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.6267    1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -1.0669   -0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    2.0807   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589    1.3949    1.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657   -0.9256    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4587   -0.2213   -1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138   -1.1966    1.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6876   -0.4190   -0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3895   -1.6584   -0.3267 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
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
M  END