HMDB0032913 RDKit 3D 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone 36 36 0 0 0 0 0 0 0 0999 V2000 4.0337 0.2188 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4769 -0.6340 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 -1.2265 -1.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 -0.7656 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 0.1019 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2473 0.0089 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 -0.5338 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 -0.9747 2.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 -0.7153 1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 0.1717 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -0.1375 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 0.4854 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 2.0073 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 0.1486 -2.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9707 0.6905 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3267 0.9945 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.4189 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -0.5020 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -1.8626 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -0.0274 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5256 1.1914 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 -0.1240 2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 -1.7052 2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -1.5217 3.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 -0.5444 2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -1.7724 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1193 -0.0576 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 1.2133 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 0.1776 -1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 -1.2416 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6658 2.4973 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 2.3973 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 2.2783 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -0.9218 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 0.8112 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 0.2931 -3.0233 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 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END