HMDB0040986
     RDKit          3D
p-Coumaraldehyde
 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8134    0.3242    0.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8843   -0.4970    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5040    0.0186    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620   -0.7404    0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778   -0.3190    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648   -1.2156    0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2805   -0.8694    0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5637    0.4274    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9095    0.7901    0.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742    1.3489   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    0.9629    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559   -1.5100    0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3585    1.0495    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -1.7848    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -2.2346    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -1.5621    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1525    1.7397   -0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    2.3733   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048    1.6983   -0.1095 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
  8 10  1  0
 10 11  2  0
 11  5  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END