HMDB0029637
     RDKit          3D
3-Methylbenzaldehyde
 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.4096   -0.4972   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610    0.0097   -0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    1.3377    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153    1.7708    0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064    0.9284    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2870   -0.3969    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3975   -1.3347    0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598   -1.0114    0.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274   -0.8280   -0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072   -0.6505   -1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1951    0.2250   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -1.4392   -0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878    2.0200    0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118    2.8119    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838    1.3106    0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202   -2.3835    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -1.8728   -0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  2  0
  9  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  9 17  1  0
M  END