HMDB0000822
     RDKit          3D
p-Hydroxymandelic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.1668   -0.6077   -1.4864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021   -0.6047   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6113   -1.8016    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105    0.5582    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132    1.5697   -0.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341    0.3204    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801   -0.9420   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381   -1.1635   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019   -0.0933   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853   -0.2783   -0.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0110    1.2041    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    1.3871    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -2.0223    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189    0.8678    1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263    2.4010   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -1.8366   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365   -2.1941   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406   -1.2270   -0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6881    2.0466    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    2.4163    0.0513 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
  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