HMDB0248196
     RDKit          3D
alpha-Cyano-4-hydroxycinnamate
 21 21  0  0  0  0  0  0  0  0999 V2000
   -4.1797   -2.7867    0.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -2.0095    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545   -1.0152    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296   -1.4202    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1885   -0.6160    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040    0.2721    1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571    1.0470    0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426    0.9585   -0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    1.7366   -0.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385    0.0706   -1.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0955   -0.6998   -1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338    0.3672    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8715    0.6919    0.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693    1.4286    0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -2.5337   -0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    0.3510    1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9001    1.7451    1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5868    1.4330    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -0.0073   -1.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -1.4006   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585    2.3874   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  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
  8 10  1  0
 10 11  2  0
  3 12  1  0
 12 13  2  0
 12 14  1  0
 11  5  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 14 21  1  0
M  END