HMDB0004062
     RDKit          3D
Gentisate aldehyde
 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.3992   -1.9471    0.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1994   -0.7083    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8462   -0.2277    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2026   -1.1262    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145   -0.7441   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5444   -1.6738   -0.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7457    0.6052   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033    1.5076   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174    1.1153   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    2.0426   -0.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0756   -0.1018    0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0342   -2.1993    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165   -1.8991    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733    0.9321   -0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675    2.5777   -0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.8470   -0.0448 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
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
  2 11  1  0
  4 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
 10 16  1  0
M  END