HMDB0033382
     RDKit          3D
2-(4-Methylphenyl)propanal
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6329   -0.0693   -0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637   -0.0052   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547    0.7334    0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062    0.8023    0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737    0.1087    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454    0.1136    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6704    0.7198   -0.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735   -1.2307    0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3956   -1.7292   -0.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0752   -0.6338   -0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2662   -0.6934   -1.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203    0.9826   -0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8153   -0.3234   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1568   -0.7904    0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3589    1.2810    1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    1.3837    1.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2332    0.7645    1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439    0.4781   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    0.4917   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028    1.8389   -0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -1.7482    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340   -1.1967   -1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6845   -1.2779   -1.9625 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
  6  8  1  0
  8  9  2  0
  5 10  1  0
 10 11  2  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  0
 11 23  1  0
M  END