HMDB0038984
     RDKit          3D
4-Ethyl-2-methylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
    2.9502   -0.3707   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377   -1.0122    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8148   -0.3023    0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005    0.8126    1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    1.4974    1.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5541    1.0262    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503    1.7158    0.5593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396   -0.0843   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178   -0.4941   -1.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2321   -0.7612   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712   -0.9388   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513    0.6996   -0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005   -0.3165   -0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769   -2.0994    0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.8880    1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    1.1282    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786    2.3532    1.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5610    1.4334    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4463   -0.7866   -0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0555    0.3704   -1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205   -1.3639   -1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -1.6189   -0.9405 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
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10  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
  7 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
M  END