HMDB0040448 RDKit 3D 2-(1-Methylpropyl)cyclohexanone 29 29 0 0 0 0 0 0 0 0999 V2000 2.5958 0.2489 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 -0.5643 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -0.1530 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -1.1113 1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1186 -0.2207 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 0.5934 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 1.2272 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 0.1636 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 0.0044 0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 0.0383 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 0.2837 2.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 0.0555 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 1.3417 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 -0.0487 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 -0.4232 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 -1.6662 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 0.8540 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 -0.5778 2.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -1.7282 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -1.8284 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 -1.2984 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -0.0305 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 1.4300 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 2.0259 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 1.5778 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 0.5376 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 -0.7904 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 0.9469 1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 -0.8879 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 M END