HMDB0033813
     RDKit          3D
3-(3,4-Methylenedioxyphenyl)propenal
 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.9659    2.0439    0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0177    1.4410    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1848    0.0305    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2236   -0.8337    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -0.6001    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846   -1.5878   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -1.5851   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.6241    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.3409    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714    0.3499    0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    1.2167    1.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    1.0437    0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723   -0.3299    0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9133    2.0987    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2600   -0.3752    0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5588   -1.9197    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079   -2.3815   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.3454   -1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    1.1044    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978    1.6050   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3562    1.3078    1.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 10  5  1  0
 13  8  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
 10 19  1  0
 12 20  1  0
 12 21  1  0
M  END