HMDB0029640
     RDKit          3D
3-(4-Methylphenyl)-2-propenal
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.6532    0.4644   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1748    0.2719   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -0.7469   -0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729   -0.9710   -0.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5662   -0.1552   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025   -0.4187   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8725    0.2958    0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908   -0.0551    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1772    0.5740    1.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    0.8443    0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    1.0962    0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0031    0.3926   -1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1181   -0.3544    0.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508    1.4691    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319   -1.4108   -1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778   -1.7615   -1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3805   -1.2496   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411    1.1268    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5899   -0.8759   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104    1.4922    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7994    1.9073    1.2308 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
  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
  8 19  1  0
 10 20  1  0
 11 21  1  0
M  END