HMDB0040191
     RDKit          3D
(±)-2-Methylhexanal
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.0209    0.5623    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5879    0.3301   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -0.5543    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754   -0.9502    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876    0.1298    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8531   -0.4957   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607    1.0798   -0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544    2.2460   -0.7202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5780    1.1604   -0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    1.1068    1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975   -0.4401    0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    1.3053   -0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334   -0.1952   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -1.4848    0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.1375    1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911   -1.6567   -0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371   -1.6146    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205    0.6897    1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377    0.2608    0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0328   -1.3865    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9571   -0.7398   -1.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8454    0.7843   -1.8596 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  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  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
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
M  END