HMDB0031459
     RDKit          3D
3-Methoxybenzaldehyde
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.7765    0.6775    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -0.6036    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7769   -0.6286    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396   -1.8471    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249   -1.9312   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199   -0.7695   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057    0.4636   -0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    1.6733   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058    2.7934   -0.6865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0449    0.5104   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8467    0.5970    0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2114    1.3031    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036    1.1621   -0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700   -2.7629    0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7225   -2.8880    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695   -0.8158   -0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    1.6293   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037    1.4370   -0.0656 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
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
 10 18  1  0
M  END