HMDB0011731
     RDKit          3D
5-Keto-D-gluconate
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.3713   -1.2590   -0.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7467   -0.2137    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4092    0.9871    0.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737   -0.3191    0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129   -1.6374    0.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6046    0.6133   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2274    1.8869   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8559    0.9192   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    2.0072   -1.0896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136   -0.1136   -0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2149   -0.1044   -1.7208 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457   -1.1640    0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653   -1.9935   -0.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3779    1.0948    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    0.0379    1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8857   -2.1056    1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347    0.3347   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006    1.9684    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    1.3345    0.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7842    1.7138   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8808   -0.7006    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6217   -1.8455    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -1.4415   -0.9232 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  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
M  END