HMDB0032118 RDKit 3D 2,6-Dimethyl-7-octen-3-one 29 28 0 0 0 0 0 0 0 0999 V2000 3.6766 0.3775 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 -0.2505 0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 -0.0524 -0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 0.9893 -1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8294 0.4634 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 -0.4932 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 0.0354 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6923 1.1136 -0.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -0.6802 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 -0.9241 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 0.0658 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 0.2444 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 1.0666 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 -0.9441 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 -1.0217 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 1.2401 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 0.6678 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 1.9350 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 1.4322 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.6568 -1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.4928 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 -0.6169 0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 -1.7030 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7093 -0.7758 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 -1.9613 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 -0.2230 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4429 0.5551 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 0.8818 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7654 -0.5858 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END