HMDB0005971
     RDKit          3D
Diketogulonic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.4493   -1.7249    0.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2503   -0.5263   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.2444   -0.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    0.0636    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    1.2631   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -0.7263    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412   -1.9326    0.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365   -0.1322    0.8015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3567   -1.1420    1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    0.2459   -0.5755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0027   -0.8711   -1.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890    0.7324   -0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    1.8690    0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9476   -0.2021   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    0.7705    1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112   -0.7652    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383    1.0531   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -1.5670   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    1.0106   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.0765   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    2.4138    0.2559 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  2  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
  8 15  1  1
  9 16  1  0
 10 17  1  6
 11 18  1  0
 12 19  1  0
 12 20  1  0
 13 21  1  0
M  END