HMDB0244222
     RDKit          3D
1,4-Pentadien-3-one
 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3750    0.4398    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -0.2435   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0183    0.1890    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834    1.2403    0.8974 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -0.5209   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337   -0.1069    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3829    0.1278    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552    1.3534    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4831   -1.1440   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -1.4481   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778   -0.6785   -0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101    0.7917    0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  2  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END