HMDB0006116
     RDKit          3D
3-Hydroxyhippuric acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.9829    2.2124   -0.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859    1.4621    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152    1.6265    0.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8398    0.3374    0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4700    0.3027    0.2471 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533   -0.6837    0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445   -1.5485    1.5033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8256   -0.7464    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720   -1.7319    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9824   -1.8077    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5068   -0.8956   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6736    0.0979   -1.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    1.0086   -2.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    0.1602   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435    2.5230    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -0.6296    0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873    0.4876    1.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    1.0402   -0.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843   -2.4694    1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5935   -2.6074    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5455   -0.9632   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6312    1.8774   -1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    0.9475   -1.0620 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
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 13 22  1  0
 14 23  1  0
M  END