HMDB0035812 RDKit 3D Epirosmanol 51 54 0 0 0 0 0 0 0 0999 V2000 5.1432 -0.6205 1.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -0.2771 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 -0.3970 -0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -0.3707 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 0.6352 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8062 0.8012 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 -0.1006 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -1.1126 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -2.0537 -1.7071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -1.2335 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 -2.2879 -1.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 0.2274 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 -0.4380 -1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -1.3046 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 -1.3272 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 0.0285 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 1.0242 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 -0.2508 2.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 0.3601 0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 1.7326 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 2.4504 -0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1322 1.7073 -0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5331 2.0115 -2.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0554 1.8961 1.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 3.1187 0.6361 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 -0.6130 2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6347 -1.6658 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 0.0181 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 0.9862 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 -0.5454 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.6709 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7592 -1.0406 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 1.3245 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 -2.7888 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 -2.5299 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 0.3640 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2836 -0.9291 -2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0329 -1.0076 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 -2.3483 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -1.6186 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -2.0780 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 1.9705 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 1.1011 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 0.6628 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 -1.2783 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7699 -0.1682 2.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 0.4474 2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.3385 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 2.1520 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 1.9947 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 3.0389 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 20 24 1 0 24 25 1 0 10 4 1 0 19 12 1 0 24 6 1 0 22 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 9 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 24 50 1 0 25 51 1 0 M END