HMDB0000750
     RDKit          3D
3-Hydroxymandelic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.0542   -1.4537    1.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -0.8883    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0151   -1.6012   -0.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177    0.4456    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811    1.0010   -1.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2396    0.3920    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304    1.5768   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990    1.5244   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    0.3660   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8438   -0.7727    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813   -1.9856    0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4627   -0.7621    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508   -1.9163   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259    1.1488    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4049    1.3719   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    2.5017   -0.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    2.4460   -0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5905    0.3197   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716   -2.0242    0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.6899    0.5367 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
  4  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