HMDB0040549
     RDKit          3D
xi-2,3-Octadiene-5,7-diyn-1-ol
 15 14  0  0  0  0  0  0  0  0999 V2000
    4.7247    1.0781    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072    0.4400    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085   -0.3034    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.9347    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -1.6819    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -1.1337    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731   -0.4879   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214    0.3731    0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    1.6990    0.5341 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6133    1.6553   -0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1273   -2.6248    0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127   -0.6869   -1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6323    0.3307    0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4235   -0.0415    1.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094    2.3186    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  2  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  5 11  1  0
  7 12  1  0
  8 13  1  0
  8 14  1  0
  9 15  1  0
M  END