HMDB0000205
     RDKit          3D
Phenylpyruvic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.7055    0.6146   -0.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873   -0.1343    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -0.8193    0.9541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654   -0.2629    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960   -1.0014    1.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153    0.4963   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899    0.2517   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050   -0.7689   -0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155   -1.0423   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174   -0.2315    0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545    0.8032    1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380    1.0361    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8502   -0.2536    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819    1.5768   -0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    0.1254   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7257   -1.3958   -1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0885   -1.8418   -0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421   -0.4007    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784    1.4023    1.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171    1.8461    1.3862 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
  4  6  1  0
  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
  6 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END