HMDB0000408
     RDKit          3D
2-Methyl-3-ketovaleric acid
 19 18  0  0  0  0  0  0  0  0999 V2000
    2.7888   -0.3853   -0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602   -0.5321    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476    0.4222    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    1.2137   -0.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9076    0.3813    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108   -1.0101    0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8122    1.4027    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3412    2.2960    0.7778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912    1.3775   -1.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589   -0.8315    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    0.7055   -0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956   -0.8408   -1.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0927   -1.5709    0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -0.2549    1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7605    0.5463    1.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104   -0.9835    0.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1551   -1.6434    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.4320   -0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0445    1.1392   -1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  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
  5 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  9 19  1  0
M  END