HMDB0037363 RDKit 3D Quercetin 3,4'-diglucoside 74 78 0 0 0 0 0 0 0 0999 V2000 -5.0432 1.6914 0.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9531 2.2234 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 1.3826 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0297 0.0887 0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -0.5452 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -1.7195 2.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -2.8264 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -3.7247 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 -3.0935 -0.0955 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0077 -2.4641 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5069 -3.6415 -0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1472 -1.6382 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2006 -2.4573 1.4481 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6334 -0.9249 2.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 -1.7583 3.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 1.9052 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2728 1.2454 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 0.2079 0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 -0.3990 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 0.0547 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4024 -0.6066 -0.2269 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4916 -0.4206 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6605 -0.3296 -0.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9462 -1.5450 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 -1.3049 1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 -0.3652 2.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3929 -2.6010 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 -2.9883 -0.4288 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 -2.0507 -1.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0055 -0.9977 -2.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6782 -1.6022 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2095 -1.2699 -3.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 1.1122 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 1.6429 -1.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 1.7005 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 3.2169 -0.1569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 4.0094 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 5.3222 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 6.1859 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 7.5144 -1.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6346 5.7126 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 4.3727 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 3.9722 0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8002 3.5189 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8427 0.1545 2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4541 -3.4367 2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 -4.6036 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 -4.1036 1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 -3.3857 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.9021 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2597 -3.9412 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4776 -0.9292 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0271 -1.9751 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 -0.0378 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -1.4455 4.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 -0.1359 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -1.2287 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 0.4645 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0684 -1.8648 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 -2.2546 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9713 -0.9378 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 0.5426 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6927 -3.4777 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1052 -3.2329 -1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -2.8450 -2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6109 -0.2537 -2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 -2.4577 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -0.8766 -3.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 2.4194 -2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 2.5500 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3219 5.7121 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 8.1660 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4837 6.3671 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5485 3.1444 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 20 33 1 0 33 34 1 0 33 35 2 0 16 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 2 1 0 14 5 1 0 35 17 1 0 44 37 1 0 31 22 1 0 5 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 15 55 1 0 18 56 1 0 19 57 1 0 22 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 27 63 1 0 28 64 1 0 29 65 1 0 30 66 1 0 31 67 1 0 32 68 1 0 34 69 1 0 35 70 1 0 38 71 1 0 40 72 1 0 41 73 1 0 43 74 1 0 M END