HMDB0005841
     RDKit          3D
Ethyl isobutyl ketone
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.0608    0.0689    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362    1.0145    0.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5996    0.3310    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957   -0.4092    1.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071    0.6343   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.0664   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467   -1.5481   -0.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4109    0.4130    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418   -0.9658    0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    0.1956   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594    0.3117    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    1.8808   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748    1.4152    1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898    0.3732   -1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557    1.7332   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.2453   -1.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073   -1.9715   -1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5068   -1.9534    0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -1.9346   -1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011    0.1948    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734    1.5229    0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4065   -0.0972    0.3844 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
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END