HMDB0029639
     RDKit          3D
(4-Methylphenyl)acetaldehyde
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2506    0.4234   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7701    0.1307   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672   -0.6628    0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -0.9253    0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838   -0.3878   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4386   -0.6151   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    0.5014    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    0.8535    1.5745 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794    0.4100   -1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777    0.6755   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6672    0.0394    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845   -0.1652   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    1.4691   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865   -1.0886    1.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392   -1.5560    1.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205   -1.6046    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323   -0.7574   -1.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    1.1085   -0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9932    0.8409   -1.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423    1.3102   -1.7805 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
  5  9  1  0
  9 10  2  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
M  END