HMDB0038985
     RDKit          3D
3-Ethyl-5-methylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
    2.8955   -0.8693   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.0739    0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    0.2263    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2991   -0.6699    0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757   -0.4302    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6168   -1.4354    0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687    0.7011   -0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8491    1.6101   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1080    2.7755   -1.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4227    1.3498   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6797   -1.4807    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291   -1.5671   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788   -0.2055   -0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349    0.8678    1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639   -0.7004    1.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721   -1.5723    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716   -1.5347   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0661   -1.1545    1.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -2.4363    0.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8787    0.9074   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    3.6348   -1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2422    2.0575   -0.5994 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  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
  6 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
M  END