HMDB0245856
     RDKit          3D
3-Deoxyglucosone
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.1216    1.5144   -0.9276 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665    0.5010   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3721   -0.5235    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -1.5106    0.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896   -0.4551   -0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786    0.0324    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404    1.3079    0.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    0.1958    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522    0.6998    1.2702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -1.0689   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3311   -0.7619   -0.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3624    0.4244    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123    0.2777   -1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -1.4192   -0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014   -0.6765    1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1617    1.9507    0.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    0.9606   -0.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682    1.6805    1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214   -1.5578   -1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486   -1.7797    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    0.2080   -0.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  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
  2 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
M  END