HMDB0303634 RDKit 3D Quercetin 3-rutinoside 4'-glucoside 94 99 0 0 0 0 0 0 0 0999 V2000 -7.7858 3.6671 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2934 3.3609 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0534 2.1605 -0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5222 1.1641 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3735 0.0994 -0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 -0.5718 -0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 0.0871 -1.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -0.7856 -2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 -1.1220 -1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -1.8601 -1.9423 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -3.0986 -1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 -3.2755 -0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -2.2130 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.0291 -1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1703 -0.0563 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -0.2305 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0069 0.7805 0.3157 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0192 0.9583 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9309 2.2190 1.8793 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5278 3.1313 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 4.5305 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 4.6725 1.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 2.9753 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 4.2624 -0.8969 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2484 2.0987 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0876 1.3886 -1.8006 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3782 1.0673 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 1.5923 1.4412 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 -1.4291 0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9503 -1.6844 1.7806 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1119 -2.3945 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -4.4933 -0.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 -5.5087 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -6.7557 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 -7.8700 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -9.1140 0.4542 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -7.7472 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 -6.5256 -1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4903 -6.5085 -1.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 -5.4252 -1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 -4.1976 -1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 -4.0088 -2.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 0.0102 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -0.4756 0.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8994 1.0531 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 2.1755 0.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7189 1.3328 -1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 1.7025 -2.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 1.1213 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2953 0.0749 2.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1814 2.3785 2.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0055 2.1956 3.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9824 3.5770 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7098 4.1673 1.5935 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9497 4.7020 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3125 3.5767 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2314 2.9844 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 4.1768 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 1.6271 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 -1.2309 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7772 -1.3906 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 0.3264 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 -1.8759 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 -0.8466 -2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1863 0.8818 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1464 0.2062 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3988 3.0824 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 5.2585 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2419 4.6388 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 4.6916 2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 2.6603 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 4.4680 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 2.7034 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0128 0.4282 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7371 0.0928 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 0.8038 1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9251 -2.5414 2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -3.3321 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0433 -6.8122 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 -9.3561 1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 -8.6222 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -5.8491 -2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0969 0.5735 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.6450 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 0.6717 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 2.7212 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 2.2173 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 2.6688 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4973 1.2463 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1049 -0.5158 2.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9770 2.5218 3.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 2.5274 2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6851 4.3716 1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7056 4.5651 2.4970 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 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 16 29 1 0 29 30 1 0 29 31 2 0 12 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 2 0 9 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 4 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 53 2 1 0 47 7 1 0 41 11 1 0 31 13 1 0 40 33 1 0 27 18 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 4 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 9 63 1 0 14 64 1 0 15 65 1 0 18 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 26 74 1 0 27 75 1 0 28 76 1 0 30 77 1 0 31 78 1 0 34 79 1 0 36 80 1 0 37 81 1 0 39 82 1 0 43 83 1 0 44 84 1 0 45 85 1 0 46 86 1 0 47 87 1 0 48 88 1 0 49 89 1 0 50 90 1 0 51 91 1 0 52 92 1 0 53 93 1 0 54 94 1 0 M END