HMDB0003070
     RDKit          3D
Shikimic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1569    1.2230   -0.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    0.0855   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.0115    0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191   -0.0496   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5818   -1.2037   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8851   -1.1527   -0.4868 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4843   -2.3836   -0.1987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5756   -0.0433    0.2453 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1235   -0.4766    1.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6709    1.1405    0.4234 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3698    2.3430    0.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    1.1182   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2028   -0.9208    0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -2.1333   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0156   -0.9299   -1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -2.8580   -1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645    0.3468   -0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7456    0.2296    1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.0307    1.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928    2.6825    1.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491    0.9015   -1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352    2.0615   -0.7356 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
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12  4  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  6
  7 16  1  0
  8 17  1  6
  9 18  1  0
 10 19  1  1
 11 20  1  0
 12 21  1  0
 12 22  1  0
M  END