HMDB0034896
     RDKit          3D
3-Mercapto-2-pentanone
 17 16  0  0  0  0  0  0  0  0999 V2000
    1.4504   -0.2929   -1.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2007    0.4427   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053   -0.3128    0.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184    0.5648    2.3888 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713   -0.5556    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    0.5803   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4266   -1.7085   -0.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4081   -1.3856   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    0.0406   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018   -0.0697   -1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.4712    0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9187    1.4909   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   -1.2930    1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -0.3504    3.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451    1.5102    0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145    0.6998   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874    0.2667   -0.2174 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
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
M  END