HMDB0039575 RDKit 3D alpha-Peroxyachifolide 51 54 0 0 0 0 0 0 0 0999 V2000 -4.6697 -2.3360 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 -1.1504 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 0.1313 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0793 0.2964 0.0635 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 1.1248 0.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 0.4929 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 -0.8485 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -1.9345 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 -1.6851 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 -1.5744 -1.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 -0.5887 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 -0.7323 1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 -0.8097 0.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 -0.1458 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 0.7149 1.5421 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -0.3999 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -1.4147 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 0.2778 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -0.0079 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 0.6645 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 1.7643 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 2.8890 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 2.4417 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 3.4232 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 1.6715 -1.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 0.4860 -1.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 1.3031 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0285 -3.2281 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 -2.5651 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7139 0.5281 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -0.7278 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -2.2748 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -2.8522 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0928 -2.6216 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -2.1817 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 0.0817 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9297 -0.9349 2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -1.6752 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3205 -0.9268 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 -1.8088 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 -2.2337 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 1.0225 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 0.0631 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6838 -0.9841 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 0.7986 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 1.7482 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 3.8734 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1048 3.3597 -1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 4.4631 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 3.3774 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 1.6456 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 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 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 11 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 23 27 1 0 7 2 1 0 26 20 1 0 27 6 1 0 27 20 1 0 1 28 1 0 1 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 12 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 27 51 1 0 M END