HMDB0031595
     RDKit          3D
5-Methylhexanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.8086    1.3221    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -0.1858    0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7817   -0.6318   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669   -0.5479   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196   -0.0624    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523   -0.4703   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -0.0215    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   -0.3909    1.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2317    0.7976   -0.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8691    1.6612    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582    1.8340   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    1.6687    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959   -0.6416    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7504   -0.1575   -0.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329   -1.7482   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605   -0.4116   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -1.6550   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4145   -0.1099   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8896   -0.4797    1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    1.0398    0.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291   -0.1718   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981   -1.6062   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.9687   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
M  END