HMDB0038988
     RDKit          3D
2-Ethyl-4-methylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.8216   -0.1430    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431   -0.5352   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5472   -0.0795   -0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -0.9871    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217   -0.5541    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839   -1.4779    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    0.7806    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    1.6687   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    1.2498   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794    2.1037   -1.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7922    0.9410    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631   -0.4371    0.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -0.7345    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427   -1.6083   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923    0.0271   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662   -2.0465    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -1.1041    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445   -1.5296   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095   -2.4625    0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0113    1.1164    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801    2.7254   -0.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178    3.0867   -1.2054 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
  6 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  0
M  END