HMDB0040777 RDKit 3D 3beta-12,21-Baccharadien-3-ol 81 84 0 0 0 0 0 0 0 0999 V2000 9.1493 0.4579 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 0.2396 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 -0.5085 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 0.7067 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 0.5234 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 -0.2420 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 -0.4787 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 -1.2796 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -1.3458 -1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -1.4149 -0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 -0.0149 -1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 0.5067 -2.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.7836 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 1.5038 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 1.6114 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 1.0688 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3098 0.9279 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 2.2010 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 0.9903 -1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7037 0.9408 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0138 -0.2157 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2488 -0.0071 0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0147 -0.5091 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1565 -2.0098 1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3787 0.1998 2.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 -0.3005 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0688 -1.4867 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 -1.3755 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 -0.1176 -1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6504 -0.3879 -2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4204 0.8089 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 1.4895 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3556 -0.2947 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9498 0.4179 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0655 -0.0660 2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5255 -1.5712 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7671 -0.4964 2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 1.2414 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3467 -0.0021 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 1.5302 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 0.2656 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 -1.2443 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -0.5951 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 -1.7801 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 -2.0046 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -1.1489 -2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.3993 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -2.1010 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 -1.7835 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 1.2581 -2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -0.3141 -3.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 1.0260 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 2.1070 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 2.7148 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 1.0891 1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 1.8882 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7198 2.3572 0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 3.0509 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2166 2.2257 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 1.9698 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1265 0.2121 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1411 1.9093 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2876 0.7526 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1546 -1.1380 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8949 0.4559 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 -2.3340 2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -2.0807 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2156 -2.6169 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4671 0.5620 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 -0.4815 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1327 1.0089 2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 -0.3059 1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6079 -1.6809 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 -2.4242 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -2.2714 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.3862 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 -1.2659 -2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 -0.7839 -3.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 0.5049 -3.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 1.6787 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 1.0787 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 13 31 1 0 31 7 1 0 29 11 1 0 29 16 1 0 26 17 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 12 50 1 0 12 51 1 0 12 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 18 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 22 65 1 0 24 66 1 0 24 67 1 0 24 68 1 0 25 69 1 0 25 70 1 0 25 71 1 0 26 72 1 0 27 73 1 0 27 74 1 0 28 75 1 0 28 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 M END