HMDB0001713
     RDKit          3D
m-Coumaric acid
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.7702    1.2928    0.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260    0.0504    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5627   -0.8855    0.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510   -0.4197    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1728    0.4717    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.1160    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6392   -1.1961    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0102   -1.4436    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9466   -0.4411    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392    0.8573    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514    1.9319    0.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934    1.1254    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489   -0.8681   -0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516   -1.4779    0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4112    1.5530    0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675   -2.0295    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3009   -2.4997    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0028   -0.6698   -0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7575    2.3640   -0.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.1685    0.2068 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
 10 11  1  0
 10 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
  9 18  1  0
 11 19  1  0
 12 20  1  0
M  END