HMDB0034556 RDKit 3D 3-Acetoxy-3-methyl-1-phenylbutane 33 33 0 0 0 0 0 0 0 0999 V2000 4.4914 1.2567 1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 0.2901 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 -0.6792 0.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 0.4305 0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 -0.4026 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 -1.8349 0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -0.3732 -1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 0.1159 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 -0.6849 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 -0.0973 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0522 -0.5058 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 0.0470 1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 1.0399 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 1.4707 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 0.8894 -1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 0.7880 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 1.6766 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 2.0898 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9157 -2.4304 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9983 -1.9680 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 -2.2730 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 -0.0299 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 0.4052 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -1.3585 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 0.0476 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 1.1813 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 -1.7287 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -0.7713 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 -1.2715 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8902 -0.2796 1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 1.4893 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 2.2360 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 1.2346 -1.9593 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 5 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 6 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END