HMDB0034875 RDKit 3D (2b,3b)-Dihydroxy-30-nor-12,20(29)-oleanadiene-28-glucopyranosyloxy-23-oic ac... 118124 0 0 0 0 0 0 0 0999 V2000 3.8385 -5.3187 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -4.1117 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -3.9592 1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 -2.8686 1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 -1.5350 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5852 -0.8467 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6919 -1.3646 0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6355 0.4193 -0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8492 1.0882 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 2.2358 0.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3617 2.5058 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 3.7185 1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8726 4.8011 0.9639 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9507 2.7465 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4629 4.0402 -0.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9154 2.6485 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6103 2.6503 -3.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 1.3853 -1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 1.5404 -2.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 -0.7578 1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 -0.0353 1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.4706 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 0.7184 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1377 -1.5945 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 -2.4784 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 -2.5078 -1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -1.2654 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 -1.3567 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 -2.8252 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 -0.6388 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 0.5885 -1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2482 1.0036 -2.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 0.1595 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4767 1.2336 0.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7956 1.1505 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5665 1.0963 1.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9154 1.0407 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6351 2.1747 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0169 3.0467 2.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0106 2.3054 1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3817 0.9860 -0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3008 -0.2885 -1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6899 2.0374 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7286 1.6099 -2.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2691 2.3174 -0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1517 3.5281 -0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -0.6132 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -1.9270 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 0.0597 2.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1241 -0.5628 3.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3188 1.3739 2.6831 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -0.8795 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 0.2483 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 0.5145 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -0.7967 0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 -1.7874 1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 -1.6835 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -2.8835 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 -5.4195 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -6.1788 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 -4.9071 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -3.7986 1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -2.7640 2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6837 -3.1513 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6732 0.4016 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 1.6507 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 3.5345 2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5946 3.9926 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 5.5069 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 2.0528 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4318 4.0375 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2262 3.4953 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1299 3.4727 -3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6275 0.5120 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 2.4798 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2372 -0.0041 2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -1.4060 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 1.0802 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5868 -0.0909 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.9033 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 1.6388 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 0.4504 -1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -3.3225 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 -3.4240 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 -2.5773 -2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4638 -0.4637 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3283 -3.4742 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6595 -2.8866 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 -3.2486 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 -0.2660 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.2563 -2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9915 1.4236 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 1.9787 -2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 -0.4670 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9906 0.2354 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3020 0.1228 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4948 3.1808 1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4844 1.2340 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1137 -0.8073 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2625 3.0107 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6413 1.2601 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6884 2.4463 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 4.2299 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5728 -2.0384 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3295 -2.7798 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7271 -1.8873 1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8595 1.6707 3.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4991 -1.7607 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 0.0822 2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 1.2496 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 1.0686 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 1.1529 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -1.4490 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -2.0778 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -2.7416 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 -0.8017 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 -2.7530 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 -2.9684 -2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 5 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 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 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 37 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 33 47 1 0 47 48 1 0 47 49 1 0 49 50 2 0 49 51 1 0 47 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 24 57 1 0 57 58 1 0 58 2 1 0 57 5 1 0 18 9 1 0 55 22 1 0 55 27 1 0 52 28 1 0 45 35 1 0 1 59 1 0 1 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 9 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 23 80 1 0 23 81 1 0 23 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 29 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 33 94 1 0 35 95 1 0 37 96 1 0 40 97 1 0 41 98 1 0 42 99 1 0 43100 1 0 44101 1 0 45102 1 0 46103 1 0 48104 1 0 48105 1 0 48106 1 0 51107 1 0 52108 1 0 53109 1 0 53110 1 0 54111 1 0 54112 1 0 56113 1 0 56114 1 0 56115 1 0 57116 1 0 58117 1 0 58118 1 0 M END