HMDB0031429 RDKit 3D 2,4-Dimethyl-3-pentanone 22 21 0 0 0 0 0 0 0 0999 V2000 2.5881 -0.4570 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 0.2967 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 1.3999 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1134 -0.6184 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 -1.7942 -0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -0.2102 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.8043 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1901 -1.4143 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 -1.2596 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 0.2042 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 -0.8961 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 0.7637 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3399 1.5903 0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 1.1204 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 2.3783 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 0.3062 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 1.7985 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 0.3682 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 0.9027 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 -1.7286 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -2.2901 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -1.2651 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 3 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 M END