HMDB0031619
     RDKit          3D
2-Phenyl-2-butenal
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.1009    1.5144   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1974    0.0609   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807   -0.6611    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693   -2.1143    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6190   -2.5238    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078   -0.2351    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806   -0.9851    0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144   -0.6793    1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    0.3639    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.0892   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7252    0.7991   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649    1.6991   -1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1247    1.9374   -0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214    2.0393    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764   -0.4383   -0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912   -2.7912    0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6436   -1.7854    1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748   -1.2539    1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0111    0.6200    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359    1.9156   -1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996    1.4288   -1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  3  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
  4 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
M  END