HMDB0032624
     RDKit          3D
2-Propylphenol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.2394    0.5961   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520    0.9608   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967   -0.3242   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708   -0.1482   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    1.0576   -0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    1.0956   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -0.0434   -0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -1.2711   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431   -1.2955   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -2.5506    0.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669    1.4965   -0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4609   -0.1584   -0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3838    0.0895    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6165    1.5238   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5571    1.6249    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3319   -0.9600   -0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -0.8068    0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4821    1.9454   -0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    2.0431   -0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3361   -0.0337   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104   -2.1839   -0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -2.6574    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  0
M  END