HMDB0029667
     RDKit          3D
2,3,6-Trimethylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.5247   -1.1535   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817   -0.7887   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159   -1.6824   -0.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -1.3444   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6612   -0.1178   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    0.2379   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016    0.7800    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    2.0248    0.7188 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6246    1.4358    0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0566   -0.8554    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0530   -0.6869   -1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -2.2690   -0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264   -2.6614   -1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -2.0489   -0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    0.2103    0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135    1.2045   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6659   -0.5448   -0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4198    2.6686    1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340    1.1400    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341    2.4339    0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    1.5766    1.7717 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
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  8 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END