HMDB0246571
     RDKit          3D
Styrylacetic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
    4.0455    1.5067    0.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6896    0.4266    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187   -0.7555    0.7292 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358    0.3533   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    0.5349   -0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090   -0.3776   -0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603   -0.2125   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4047    0.9188    0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7141    0.9916    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6066   -0.0328    0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2023   -1.1894   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8917   -1.2434   -0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5866   -1.3519    1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674   -0.5690   -1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505    1.2075   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1137    1.4640    0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -1.2946   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    1.7530    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0183    1.9123    1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6439    0.0649    0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9144   -1.9705   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5475   -2.1364   -0.9109 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  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END