HMDB0003771
     RDKit          3D
2-Methylacetoacetic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.1814    0.3323    0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -0.4758   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -1.6330   -0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3457    0.1143   -0.3347 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2787   -0.9802   -0.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617    0.5123    0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214    0.3135    1.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212    1.0803    1.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -0.0405    1.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    1.3959    0.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    0.2137   -0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118    0.9616   -1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914   -1.3660   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545   -1.7920   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834   -0.6077   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3797    1.9713    0.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  6
  5 13  1  0
  5 14  1  0
  5 15  1  0
  8 16  1  0
M  END