HMDB0059896
     RDKit          3D
6-Ethyl-o-cresol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.0632    0.1743   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9146   -0.7066    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.0130    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5361    1.3852    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6638    2.0593    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7987    1.3200   -0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7720   -0.0601   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903   -0.8995   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548   -0.7216    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -2.1080    0.0187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900    0.6838   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9735   -0.4245   -0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.9439    0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602   -1.6941   -0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.8830    1.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630    1.9210    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    3.1384    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7709    1.8156   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   -1.1262   -1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9823   -1.8197    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8815   -0.3233   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -2.6617    0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  8 20  1  0
  8 21  1  0
 10 22  1  0
M  END