HMDB0006240
     RDKit          3D
Demethylated antipyrine
 23 24  0  0  0  0  0  0  0  0999 V2000
    3.8328   -0.8557   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -0.1953    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    0.9636    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    1.2287    0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4695    2.1854    1.3505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001    0.2517    0.0962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054    0.1439   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6658    0.8519   -1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347    0.7308   -1.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936   -0.1031   -0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1334   -0.8113    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628   -0.6908    0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846   -0.5885   -0.3603 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -0.3709   -1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470   -1.9342   -0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482   -0.7743    0.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    1.5311    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539    1.5136   -1.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5373    1.2976   -2.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8668   -0.2057   -0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7109   -1.4759    1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -1.2471    1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217   -1.4458   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  6 13  1  0
 13  2  1  0
 12  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END