HMDB0031603
     RDKit          3D
Ethyl 4-pentenoate
 21 20  0  0  0  0  0  0  0  0999 V2000
    4.1765    0.4806    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    1.1584    0.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9217    0.6181   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6983    0.4691    0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.0649   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608   -0.3160   -1.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892   -0.3013    0.5409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -0.8111   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -1.0291    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700   -0.4807    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916    0.8767    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9753    2.1219    1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209   -0.3692   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    1.2599   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -0.0816    1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381    1.5176    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8820   -0.0877   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3427   -1.7449   -0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7929   -1.1310   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0326   -1.9605    1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2460   -0.1244    0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END