HMDB0033591
     RDKit          3D
Safrole
 22 23  0  0  0  0  0  0  0  0999 V2000
    3.8633    0.0068   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8118    0.6676   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309    0.1866    0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6047   -0.1006    0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -1.3475    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -1.6009   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716   -0.6122   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    0.6365    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661    0.8751    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    1.4160    0.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9953    0.5951    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4365   -0.5713   -0.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   -0.8897   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280    0.3596   -1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    1.5660   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    1.0021    1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.7291    1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -2.1057    0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -2.5775   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    1.8563    0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2779    0.3331    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8035    1.0337   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  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
  8 10  1  0
 10 11  1  0
 11 12  1  0
  9  4  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  9 20  1  0
 11 21  1  0
 11 22  1  0
M  END