HMDB0302984
     RDKit          3D
trans-Octen-2-al
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.1866    0.4029   -0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6727   -0.7997    0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -1.1543   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    0.0251    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984   -0.4253   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    0.5910   -0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433    0.3375    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197    1.2903    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381    2.4139   -0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    0.1382   -1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6481    1.3280   -0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    0.5134   -0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880   -0.6594    1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472   -1.6450    0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9475   -2.0369    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3420   -1.4190   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067    0.8586   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035    0.3446    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057   -0.7348   -1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3051   -1.3507   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9647    1.5530   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2393   -0.6261    0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0928    1.0545    1.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  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
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
M  END