HMDB0002035
     RDKit          3D
4-Hydroxycinnamic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.9951   -1.0744    0.0319 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    0.0506   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903    0.9477   -0.7912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2009    0.3386   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3364   -0.5582    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982   -0.3388    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    0.8291   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    0.9806   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8867   -0.0099    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2745    0.1858    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170   -1.1932    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528   -1.3511    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5478    1.5058   -1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670    1.3147   -0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403   -1.5290    0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773    1.6674   -0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939    1.9111   -0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6858    0.5791    0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9680   -1.9901    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -2.2659    0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END