HMDB0302410
     RDKit          3D
Benzyl ethyl ketone
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.6176    0.3059    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867   -0.5799    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639   -0.1892    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755    0.8269    1.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -1.0659   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801   -0.5450   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422    0.3201   -1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6203    0.8196   -1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6110    0.4645   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619   -0.4026    0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711   -0.8950    0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5243   -0.2626   -0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9384    1.1865    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341    0.6288   -0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9017   -1.6222    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9719   -0.4091    1.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4498   -2.1059    0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612   -1.0664   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5997    0.6199   -1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387    1.4838   -2.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6187    0.8548   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.6737    1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7431   -1.5682    1.4563 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
M  END