HMDB0062406
     RDKit          3D
4-Oxo-1-(3-pyridyl)-1-butanone
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.9783   -0.2756   -0.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8865   -0.1716    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732   -0.1916   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252   -0.0455    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485   -0.0777   -0.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999   -0.2075   -2.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008    0.0416   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736    0.0109   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    0.1271   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878    0.2689    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268    0.2974    1.5064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952    0.1871    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.0628    1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -1.1785   -1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409    0.6091   -1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540   -0.8257    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    0.9349    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404   -0.1028   -2.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010    0.1034   -1.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6025    0.3582    1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3969    0.2006    1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
M  END