HMDB0040652 RDKit 3D 3-Hydroxy-28,13-lupanolide 81 86 0 0 0 0 0 0 0 0999 V2000 5.9915 1.7488 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 1.1787 -1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 0.4141 -2.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 0.3823 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 -0.7948 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 -2.0165 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 -1.6337 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 -2.5217 0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -1.7673 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 -0.4226 1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 0.4881 2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5934 -0.3867 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -0.6921 2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 -1.4975 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 -1.5568 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 -0.2246 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6081 -0.2508 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 -1.3231 0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -0.6839 -1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 1.0463 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6765 1.7703 -1.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 1.9282 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 2.2023 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.9255 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 1.0586 -1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 0.9152 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 1.6016 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 1.6299 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7361 0.2213 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -0.3401 -0.9863 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -1.3999 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 -2.0471 -2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -0.2157 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4926 1.7459 -1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 2.8419 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 1.2574 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 2.0572 -1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 -0.6344 -2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 0.5217 -2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2771 0.9515 -3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 1.0427 0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 -0.8450 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1199 -0.6833 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 -2.7248 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7908 -2.5949 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -3.2368 1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -3.1724 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -1.7300 2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5245 -2.4408 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -0.1285 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1691 2.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 0.9674 2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5222 -1.0609 3.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -1.5691 2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 0.2023 2.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 -2.5121 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -1.4484 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -2.2628 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 -2.0551 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4463 -0.0843 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 -2.3198 0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4151 -1.0399 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9346 -1.3282 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 -1.0216 -2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2675 0.1503 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4678 -1.5450 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2665 0.8942 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6295 1.9368 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4304 1.6017 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9897 2.9255 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 2.9079 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 2.7767 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 2.0055 -1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 1.2638 -2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7555 0.1714 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 1.6076 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 2.6587 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 1.0589 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 2.3473 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 2.1262 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 -0.4881 1.6591 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 29 33 1 0 33 4 1 0 31 7 1 0 33 7 1 0 29 10 1 0 26 12 1 0 24 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 11 50 1 0 11 51 1 0 11 52 1 0 13 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 18 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 23 72 1 0 25 73 1 0 25 74 1 0 25 75 1 0 26 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 33 81 1 0 M END