HMDB0035097 RDKit 3D beta-Costol 40 41 0 0 0 0 0 0 0 0999 V2000 3.8029 1.4811 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 0.4524 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 -0.6722 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 -0.8559 1.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 0.4506 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 -0.6504 -1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 -1.0511 -1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -0.5734 -0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -1.7316 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 -0.2448 -1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 0.1038 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 1.2461 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 0.9405 1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 0.9668 2.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 0.6240 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 0.3995 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 1.5331 -0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 2.2818 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 -0.4246 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 -1.6270 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -0.0209 2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 1.4361 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 -0.3424 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -1.5286 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4287 -0.7078 -2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1154 -2.1783 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 -2.5385 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 -1.4638 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4477 -2.1182 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 0.6075 -2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 -1.1614 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 -0.7637 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 0.4535 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 1.3717 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9356 2.1424 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 0.7513 2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 1.2126 3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.5146 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8067 -0.5706 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 1.2557 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 13 15 1 0 15 16 1 0 16 5 1 0 15 8 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END