HMDB0039769
     RDKit          3D
6-Octenal
 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.7844   -0.6029    1.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5406    0.5291    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    0.4545   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -0.7599   -0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6727   -0.5321   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    0.0455    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922    0.2787    0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108    1.2196   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108    1.8077   -1.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9108   -0.7024    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0436   -1.5418    0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6560   -0.3654    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1580    1.4409    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4572    1.2795   -1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -1.1654   -1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1567   -1.5575   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.1344   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -1.5158   -0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.9405    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248   -0.7179    1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894   -0.7340    0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    0.6188    1.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    1.4459   -0.0856 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
M  END