HMDB0124925
     RDKit          3D
3-Hydroxy-3-phenylpropanoic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.5158   -0.9861    0.7830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    0.1467    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774    1.0750    0.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806    0.5369    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8645   -0.6188    0.3813 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1918   -1.7240   -0.4056 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474   -0.2599    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -1.2943    0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278   -1.0773    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    0.2055   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    1.2501   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    1.0006    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0858    1.8281   -0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7471    0.8197   -0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984    1.3858    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175   -0.8640    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6913   -1.7729   -1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412   -2.3100    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5665   -1.8794    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501    0.4429   -0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591    2.2706   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    1.8251    0.0133 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  1  0
  5  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  1
  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