HMDB0255940 RDKit 3D Oleanonic acid 79 83 0 0 0 0 0 0 0 0999 V2000 -4.7908 0.6821 -2.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9556 0.3200 -1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 1.1375 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1156 -1.1289 -1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 -2.0279 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -1.1504 0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2246 -0.6830 1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4738 -0.9960 1.6286 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 0.1134 2.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1112 -1.8501 1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.8425 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 0.2483 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 1.6491 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -0.0289 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 -0.1441 -1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.0064 -1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -0.6828 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7810 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -1.2658 1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 -1.8461 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7738 -1.8966 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -0.6196 -1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6403 -0.5699 -1.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8751 0.6627 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6072 1.2452 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 1.6527 -1.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 0.5498 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 1.6170 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 1.6072 0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 0.2516 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 -0.0925 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7359 -0.2057 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 0.9130 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 0.5060 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5134 0.1273 -3.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 1.7847 -2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0963 0.5592 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9389 1.5044 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3044 2.0460 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1454 -1.3250 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -1.6075 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 -2.6147 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7038 -2.7727 0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 1.0109 2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 -2.5640 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 -2.3964 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 -1.4719 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 -0.4649 2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 2.3427 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 2.0349 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0636 1.5768 1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -0.3554 -2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 1.0737 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3922 -0.4425 -2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 -1.6747 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -2.2695 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -0.5864 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -1.5374 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 -1.8303 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 -2.8248 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 -2.2872 -2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 -2.6754 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 0.7271 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6989 1.2349 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 2.3465 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 1.8776 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 1.1584 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5289 2.5530 -1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 0.5770 -1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 2.5982 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 1.7054 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7926 2.2720 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 2.1602 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -1.1067 2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9013 0.6721 2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 0.0951 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 -0.6452 -1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 1.7844 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 1.2926 0.5553 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 14 32 1 0 32 33 1 0 33 2 1 0 32 6 1 0 30 12 1 0 30 17 1 0 27 18 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 19 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 25 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 31 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 33 78 1 0 33 79 1 0 M END