HMDB0037193
     RDKit          3D
1-(Methylthio)-2-butanone
 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.7881   -0.6396    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681    0.5331   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696   -0.0390   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292   -0.4263   -1.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5957   -0.1385    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9732    0.6166   -0.8824 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832    0.3743    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -1.3227    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9291   -1.1657   -0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -0.2999    0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360    1.1281    0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3953    1.1448   -0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720    0.4002    1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011   -1.2091    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938   -0.3457    0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8825    1.3323    0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    0.0572   -0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  5 13  1  0
  5 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END