HMDB0061896
     RDKit          3D
2-Methyl-3-hexanone
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.2414    0.2043   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854   -0.4487    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    0.0319   -1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090   -0.5828   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7097   -1.5136   -1.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3703   -0.0737    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -0.8735   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570    1.3819   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796    1.2622   -0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312   -0.3170   -1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896    0.0742    0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -1.5356    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082   -0.1658    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.2317   -2.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9157    1.1344   -1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962   -0.1324    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4646   -0.3385   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5242   -1.8326   -0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382   -1.0735    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953    2.0471   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5131    1.6215    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3252    1.3617   -1.1388 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  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END