HMDB0302366
     RDKit          3D
1-Methylthiopentan-3-one
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.5626    0.9668    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -0.3777    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469   -0.9477   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014   -2.0665   -0.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -0.3342    0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121    0.2578   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4413    1.0109   -0.3269 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097   -0.0579    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6385    1.1342    0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3585    1.8004   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847    1.0805    1.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163   -0.2983   -1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543   -1.0744    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7574   -1.1121    0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1029    0.3997    1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -0.6035   -1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769    1.0240   -1.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071   -0.7518    1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -0.6190   -0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267    0.5689    0.7261 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
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
M  END