HMDB0245299
     RDKit          3D
3-Phenylprop-2-enal
 18 18  0  0  0  0  0  0  0  0999 V2000
    4.3956    1.3121   -0.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5780    0.3996    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    0.6107    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -0.3570    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302   -0.2290    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9177   -1.3432    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741   -1.2548    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906   -0.0985    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1031    0.9856   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148    0.9401   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9785   -0.5423    0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    1.5533   -0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401   -1.3093    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050   -2.2524    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682   -2.1257    0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9712   -0.0310    0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370    1.9194   -0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1215    1.8224   -0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  2 11  1  0
  3 12  1  0
  4 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END