HMDB0031738 RDKit 3D 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 37 37 0 0 0 0 0 0 0 0999 V2000 4.4401 -0.0236 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0597 -0.5242 0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -1.5882 1.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9138 0.1764 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 1.4313 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 -0.3101 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 0.3650 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 0.7790 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 2.2045 1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 -0.1314 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 -1.5470 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 -1.5075 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.5859 -0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -1.3568 -1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 0.2556 -2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -0.8081 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 0.2772 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 0.8867 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 2.2604 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 1.7409 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 1.2654 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 -1.2278 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 1.2748 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 2.4396 2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 2.8268 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.4978 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 0.2255 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -1.9453 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -2.1868 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 -2.5331 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2206 -1.2397 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 -0.9234 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -1.4300 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0764 -2.3998 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -0.4274 -2.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 1.0451 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 0.7440 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END