HMDB0031879 RDKit 3D 11a,12a-Epoxy-3b-hydroxy-28,13-oleananolide 3-acetate 85 91 0 0 0 0 0 0 0 0999 V2000 8.2311 0.8726 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 1.1130 1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 2.2555 0.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 0.0888 1.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 0.2667 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.0213 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -1.1018 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 -1.2363 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9849 -2.7648 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -0.6517 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 0.6944 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 1.3300 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1695 0.3472 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -0.0183 -1.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5727 -0.8410 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -1.9522 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -2.4742 0.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 -1.5610 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -0.1905 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -0.2721 1.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 0.8880 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8592 1.3306 2.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8383 1.4198 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2757 1.8035 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1128 0.6066 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8477 -0.4805 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3077 -0.1048 -1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6431 -1.7098 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4057 -0.8833 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4445 0.2505 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 2.5661 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 2.0813 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 0.8676 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8475 1.3345 1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -0.5747 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 0.1463 -1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9493 -1.9298 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6701 1.8753 1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2499 0.2275 2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7674 0.4661 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 1.3414 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 0.9366 2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -0.1962 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 -0.9640 2.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -2.0386 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -3.2442 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 -3.0018 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 -3.1898 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 -1.3347 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1223 0.7061 -2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2518 1.4578 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 2.1878 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6154 1.7793 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 0.8769 -2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 -0.2846 -2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5254 -0.8437 -2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -0.6369 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -2.5689 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 -2.0487 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4934 2.0537 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 2.6042 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8227 0.2297 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1727 0.8816 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3874 -1.0230 -2.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5250 0.5321 -2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2776 0.4273 -1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7129 -1.5154 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2877 -2.5814 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4451 -1.9001 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -1.4481 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 -1.6209 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 0.6543 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 3.3124 0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 3.0979 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 1.9042 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 2.8944 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 0.5332 2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 2.2193 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 1.5571 1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 -0.3763 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 0.1377 -2.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 1.1717 -1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -1.8258 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 -2.6428 -1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 -2.3173 0.7093 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 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 1 0 13 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 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 23 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 10 35 1 0 35 36 1 0 35 37 1 0 35 5 1 0 15 8 1 0 18 16 1 0 30 19 1 0 33 13 1 0 33 19 1 0 30 23 1 0 1 38 1 0 1 39 1 0 1 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 9 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 14 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 18 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 25 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 31 73 1 0 31 74 1 0 32 75 1 0 32 76 1 0 34 77 1 0 34 78 1 0 34 79 1 0 36 80 1 0 36 81 1 0 36 82 1 0 37 83 1 0 37 84 1 0 37 85 1 0 M END