HMDB0002939
     RDKit          3D
Methyl isobutyl ketone
 19 18  0  0  0  0  0  0  0  0999 V2000
    2.8028   -0.2443   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3835    0.1229   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    0.4350   -1.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464    0.0870    0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611    0.4801    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8433    0.4151    1.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769   -0.5097   -0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439   -1.3396   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    0.1620   -1.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676    0.1641    0.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991    0.7969    1.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4106   -0.9077    0.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9992    1.4743   -0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0631    1.4291    1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7721   -0.1688    1.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3080   -0.1085    2.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391   -0.0282   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484   -0.9291   -0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7609   -1.3309   -1.1119 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
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
M  END