HMDB0001965 RDKit 3D Troxilin B3 59 58 0 0 0 0 0 0 0 0999 V2000 -8.6310 -0.0823 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9351 1.2394 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7175 1.2880 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8377 0.1121 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 0.0714 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 1.2962 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 1.3040 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 0.1024 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 0.2421 1.2209 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7020 0.3139 1.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8228 -1.0451 1.6795 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6484 -1.0398 3.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 -1.2338 1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -2.4789 1.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -0.1797 1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -0.1046 1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -1.0858 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 -0.4175 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 -0.4607 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -1.2058 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2578 -0.3270 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9374 0.3701 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0471 1.2198 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2746 1.2557 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8378 1.9698 -1.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2063 -0.8560 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7123 0.0873 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4235 -0.3820 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5964 2.1040 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6659 1.2314 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 2.2500 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1005 1.2056 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4739 0.1745 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3814 -0.8291 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 -0.0163 -2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 -0.8724 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 2.2852 -1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 2.2760 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 -0.8471 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 0.0989 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 1.1342 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0529 -0.6223 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 -1.8883 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -0.5875 3.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5159 -1.2112 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7038 -3.2096 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 0.5593 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3244 0.6602 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 -1.7529 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9652 -1.7767 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 0.1746 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3396 0.0906 -2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5986 -1.9059 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8065 -1.8646 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9237 0.4426 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9866 -0.9699 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1928 1.0688 -1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2789 -0.3170 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0534 2.9417 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 6 10 42 1 0 11 43 1 1 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 25 59 1 0 M END