HMDB0038986
     RDKit          3D
3-Ethyl-4-methylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.4757    0.8865   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    0.7526    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    0.3232    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8651    1.2581    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539    0.9282   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726    1.8675   -0.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650   -0.3844   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477   -1.3104   -0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464   -0.9832   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8295   -2.0710    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499    0.0541   -0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721    1.1065   -1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564    1.7739   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972    1.7371    1.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335    0.0302    1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    2.2697    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7247    2.0476    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809   -0.6646   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7212   -2.3449   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8503   -1.8456   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -2.5429    1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028   -2.8884   -0.6510 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  1  0
  5  7  2  0
  7  8  1  0
  8  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
  6 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END