HMDB0000491
     RDKit          3D
3-Methyl-2-oxovaleric acid
 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.2923   -1.0065    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -1.0133   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0045   -0.0614    0.3639 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6130    1.3233    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936   -0.1281   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4530   -0.9083   -1.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    0.6802    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    1.4683    1.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    0.6336   -0.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -0.0201    0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2283   -1.7734    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -1.1540   -0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942   -2.0592   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722   -0.7278   -1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400   -0.3230    1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1194    1.5713    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1767    2.0561    0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667    1.3692   -0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140    0.0732   -0.0736 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  2  0
  5  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
  2 14  1  0
  3 15  1  1
  4 16  1  0
  4 17  1  0
  4 18  1  0
  9 19  1  0
M  END