HMDB0031566
     RDKit          3D
2-Methyl-3-phenyl-2-propenal
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.3038   -0.0917    0.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    0.0667   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974    0.8075   -1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    1.2377   -1.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838   -0.4058    0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5248   -0.2990    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064   -0.6621   -0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -0.5220   -1.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2052    0.0003   -0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101    0.3597    1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    0.2268    1.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8572    0.8570    0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7529   -0.8572   -0.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088   -0.2844    1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6156    0.9947   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1467   -0.9224    1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3777   -1.0975   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288   -0.8091   -2.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2467    0.1059   -0.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090    0.7682    1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521    0.5267    2.3603 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
  2  5  2  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
  3 15  1  0
  5 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