HMDB0037170 RDKit 3D 3-Methylene-2-octanone 26 25 0 0 0 0 0 0 0 0999 V2000 -2.0412 -1.9734 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8377 -0.8909 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -0.6466 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 0.5841 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 0.8391 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 -0.2807 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 0.1649 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -0.0612 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8798 1.1335 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 -0.3136 0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 -2.1756 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 -2.6121 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -0.4529 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.5050 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.4641 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1828 0.5013 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4254 0.9895 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 1.7984 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 -1.1958 -0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 -0.5031 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 1.2404 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.0514 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -0.4315 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0598 0.9397 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7274 2.0743 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8522 1.2619 -1.4226 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 4 5 1 0 5 6 1 0 6 7 1 0 2 8 1 0 8 9 1 0 8 10 2 0 1 11 1 0 1 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 M END