HMDB0032430
     RDKit          3D
4-(Methylthio)-2-pentanone
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.0490   -1.3235   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580   -0.0116   -1.6924 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3439    1.0544   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    1.8731    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.2755    0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -0.3391   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6845   -1.1458    0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -0.1652   -1.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060   -1.3702   -1.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336   -1.0706    0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5110   -2.2893   -0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    1.7739   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955    2.9343    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210    1.8723   -0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334    1.4775    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    0.9283    1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309   -0.5468    0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7536   -0.8058    1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314   -2.2291    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6963   -0.8925    0.2546 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
M  END