HMDB0036801 RDKit 3D ent-16b,19-Kauranediol 19-acetate 61 64 0 0 0 0 0 0 0 0999 V2000 6.1640 -0.9491 -1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6977 -0.9840 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 -1.4790 -2.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0511 -0.5004 -0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -0.5750 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 0.0356 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 -0.8679 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8329 1.3980 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 2.5298 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 2.1531 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 1.0391 0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 1.7374 2.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7932 -0.0813 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -1.4379 0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 -1.5566 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 -0.6398 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 -1.4422 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 -0.5458 -1.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 0.6809 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 0.8590 -1.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 0.6807 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1162 -0.2582 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 -1.1697 -0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 1.0879 -0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 -0.5308 0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4178 -0.0249 -2.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -0.9058 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -1.7965 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 -1.6840 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.1748 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 -1.9180 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 -0.5850 2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4842 -0.7312 2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2504 1.5195 2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 1.4599 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5653 3.0330 1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4448 3.3186 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0151 1.9260 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 3.0469 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 1.1508 2.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 2.7399 1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2586 1.7212 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.2479 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8906 -2.2249 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 -1.4761 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 -2.5995 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 -1.3248 2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 -2.3955 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 -1.5862 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 -1.0817 -2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 1.6074 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2504 0.5366 -3.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 0.2113 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.9334 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 1.4548 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6662 -1.3104 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1291 -0.7289 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0177 -2.1386 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 1.1637 -1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4254 0.3774 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 -1.4498 1.2838 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 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 13 6 1 0 21 16 1 0 21 11 1 0 25 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 23 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 M END