HMDB0032611
     RDKit          3D
3-(4-Methoxyphenyl)-2-propenal
 22 22  0  0  0  0  0  0  0  0999 V2000
    4.0016   -0.1622   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3849    0.0252    0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    0.0422    0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221   -0.1145   -0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1774   -0.0980   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    0.0785    0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    0.1042    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -0.0339   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5562    0.0128   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3454   -0.1183   -0.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512    0.2348    1.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267    0.2185    1.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0870   -0.2414   -0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703    0.6744   -1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6010   -1.0919   -1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477   -0.2535   -1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -0.2245   -1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7237    0.2523    1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -0.1787   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9304    0.1574    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676    0.3744    2.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.3421    2.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  6 11  1  0
 11 12  2  0
 12  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 11 21  1  0
 12 22  1  0
M  END