HMDB0031249
     RDKit          3D
Methyl isobutyrate
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.7305    0.1163    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057   -0.0039    0.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958    0.1838   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    0.4580   -1.6329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602    0.0801   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.0668    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.3209   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765    1.0863    0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2502   -0.7488    0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822    0.1549   -0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810    0.1726   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943    2.1065    0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036    0.8889    0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3011    0.8000    1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995   -1.2709    0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761   -1.7772    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508   -1.9926   -0.9165 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
  1  8  1  0
  1  9  1  0
  1 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END