HMDB0029636
     RDKit          3D
2-Methylbenzaldehyde
 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.7352   -1.1128   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4006   -0.5248    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6693   -1.3762    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472   -0.8690    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787    0.4882    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    1.3122    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952    0.8328   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.7035   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003    1.2899   -0.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4558   -0.7369    0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764   -0.9270   -1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6665   -2.2042    0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138   -2.4304    0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -1.5103    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729    0.9023    0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    2.3964   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1623    2.7662   -0.4837 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  2  0
  7  8  1  0
  8  9  2  0
  7  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
  6 16  1  0
  8 17  1  0
M  END