HMDB0037139 RDKit 3D 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone 34 34 0 0 0 0 0 0 0 0999 V2000 4.3756 0.9645 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 1.1373 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 2.1717 -0.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -0.0470 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 0.3732 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4778 -0.3456 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6246 -1.6086 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.3840 0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9066 -2.3222 -0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8798 -1.6067 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8258 -0.1880 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 0.5114 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 1.2913 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 1.6301 -1.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 1.0349 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 1.7528 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7933 -0.0189 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6175 -0.8072 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 -0.2085 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 1.3075 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8976 0.8989 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 -2.6329 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 -3.4465 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -2.1718 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0099 -3.3688 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 -2.1555 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -0.1299 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7728 0.3357 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 0.8373 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 2.3404 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2795 1.1283 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 2.1907 -1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 2.3024 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 1.2337 -2.3539 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 2 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 10 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END