HMDB0006853 RDKit 3D 3-Butyn-1-al 9 8 0 0 0 0 0 0 0 0999 V2000 2.0595 0.6271 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.0268 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -0.6892 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 0.2733 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 -0.1058 0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 1.1537 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -1.2014 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 -1.3950 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 1.3105 0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 2 0 1 6 1 0 3 7 1 0 3 8 1 0 4 9 1 0 M END