HMDB0006083 RDKit 3D Troxerutin 94 98 0 0 0 0 0 0 0 0999 V2000 6.8916 -2.9309 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3433 -1.8933 1.0802 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2422 -1.3237 1.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1643 0.0878 1.4383 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0630 0.5311 2.0259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 1.1144 1.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 0.3850 0.5261 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9793 1.1964 0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 0.2717 -0.2804 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2324 0.6896 -0.0472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4212 1.0671 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 0.4166 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 -0.8854 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -1.7680 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -2.9570 -1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1654 -3.3137 -2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4146 -4.4223 -2.7427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 -5.5513 -3.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 -6.6004 -2.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 -6.1851 -1.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2274 -2.3957 -1.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4356 -2.7877 -2.3238 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6926 -2.2223 -2.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2159 -2.1766 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4858 -1.6013 -0.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9983 -1.2411 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 0.9557 0.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 2.0932 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 2.5696 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3053 3.8082 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5433 4.2364 2.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1509 5.2875 2.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1275 6.6258 2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9018 7.1549 1.9486 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 4.5059 2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 4.0412 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 4.7763 2.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 2.8188 1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 2.3404 0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 3.0199 1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -0.1096 -1.6308 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5959 -1.5113 -1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 0.4309 -1.9324 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8331 1.8005 -2.1564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 0.1596 -0.8031 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3684 -1.1103 -0.9316 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4499 0.6054 2.1063 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3324 1.9575 2.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5816 0.3057 1.1554 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7150 1.3539 0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 -0.9270 0.3642 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4744 -1.6290 0.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4946 -3.8705 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9733 -2.4804 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -3.1346 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 -2.4693 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 0.1936 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2088 2.1380 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 1.4002 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -0.5961 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 -0.6162 0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 -1.6010 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -3.6040 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 -6.0588 -4.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0204 -5.2599 -3.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 -7.0342 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0029 -7.4464 -3.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1281 -6.8373 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7437 -1.1917 -2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -2.8718 -2.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4051 -3.2714 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5671 -1.7486 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4169 -0.8200 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -0.5724 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 1.9794 1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2776 5.0712 2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8425 5.5069 3.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6676 7.3394 2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7587 6.6101 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6634 7.3121 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 5.4752 2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 5.6743 2.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 0.2543 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 -1.8680 -2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 -0.0563 -2.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 2.1647 -2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 0.9003 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 -1.0866 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6107 -0.0017 3.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5062 2.0575 2.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5587 0.2234 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5467 1.0696 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 -0.7334 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0023 -1.2034 -0.5449 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 21 26 2 0 12 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 30 35 2 0 35 36 1 0 36 37 1 0 36 38 2 0 38 39 1 0 39 40 2 0 9 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 4 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 2 1 0 45 7 1 0 39 11 1 0 26 13 1 0 38 28 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 1 4 57 1 6 6 58 1 0 6 59 1 0 7 60 1 1 9 61 1 1 14 62 1 0 15 63 1 0 18 64 1 0 18 65 1 0 19 66 1 0 19 67 1 0 20 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 25 73 1 0 26 74 1 0 29 75 1 0 32 76 1 0 32 77 1 0 33 78 1 0 33 79 1 0 34 80 1 0 35 81 1 0 37 82 1 0 41 83 1 6 42 84 1 0 43 85 1 6 44 86 1 0 45 87 1 6 46 88 1 0 47 89 1 1 48 90 1 0 49 91 1 1 50 92 1 0 51 93 1 6 52 94 1 0 M END