HMDB0033232 RDKit 3D (3beta,16alpha)-7-Baurene-3,16-diol 82 86 0 0 0 0 0 0 0 0999 V2000 3.2496 3.2408 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 2.0398 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 1.5135 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4559 0.5958 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6694 -0.6497 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 -1.7378 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -1.0331 -2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -0.4164 -3.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 -0.4918 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7795 -1.2653 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 -2.6226 -1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 -0.6453 -0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 0.4358 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 1.0779 -1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 0.1217 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 0.8526 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 1.9238 -1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7057 -0.1099 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6589 1.5600 0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6405 2.9678 0.8399 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 1.2106 2.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 0.6150 1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 -0.4935 0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -1.4648 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -1.2978 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.8576 1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 -1.1828 1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 -1.3877 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0607 -2.8191 0.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -0.4661 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 0.9018 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 1.0627 2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 4.1640 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 3.3234 1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2211 3.3039 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 2.3647 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 2.3138 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 0.9321 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 0.3645 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 1.2011 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -2.1312 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 -1.3366 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 -2.5323 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -2.1083 -2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0122 0.3309 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 0.5836 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0235 -0.6413 -2.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -2.3940 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 -3.2133 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 -3.2099 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 0.9164 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 2.0326 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 1.3424 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -0.6799 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 2.7539 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 1.4813 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6997 2.3507 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2868 0.1541 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4583 -0.1042 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3261 -1.1491 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7011 1.3575 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0165 3.3959 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 2.1080 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 0.4886 2.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 0.2428 2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 1.3986 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 -2.3955 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6223 -1.0011 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 -1.6742 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -2.1818 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -2.9659 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2355 -1.6448 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 -1.6717 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 -0.1524 1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 -3.5269 0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6636 -3.2184 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -2.7414 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 -0.9156 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 1.1619 0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 1.6248 2.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 0.0713 2.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 1.6485 2.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 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 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 31 2 1 0 30 5 1 0 28 10 1 0 25 12 1 0 23 15 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 6 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 11 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 17 55 1 0 17 56 1 0 17 57 1 0 18 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 24 67 1 0 24 68 1 0 24 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 27 73 1 0 27 74 1 0 29 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 31 79 1 0 32 80 1 0 32 81 1 0 32 82 1 0 M END