HMDB0011732
     RDKit          3D
2-Keto-L-gluconate
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.0161   -0.4292    1.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685    0.3537    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2941    1.1292    0.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387    0.3849   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315    1.1801   -1.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9399   -0.4849   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -1.2376    1.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    0.3566   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    1.2015    1.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582   -0.5241    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6408   -1.3788   -1.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7576    0.4216    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562   -0.2417    0.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4338    1.9598    0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413   -1.1998   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5456   -2.0735    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076    0.9966   -0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291    0.6605    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -1.0718    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987   -2.2962   -0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6460    1.0586   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    1.0500    0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795    0.1843   -0.5635 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
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
M  END