HMDB0037536 RDKit 3D Quercetin 3-lathyroside 70 74 0 0 0 0 0 0 0 0999 V2000 0.5413 -1.6100 1.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 -1.3847 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 -0.1893 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 0.7802 0.3949 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 0.7747 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 1.5561 -1.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 0.9405 -3.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 1.7408 -4.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 1.0324 -5.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 0.6982 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -0.6298 -3.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 1.5209 -2.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 2.8742 -2.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 1.2384 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 0.2796 -0.5881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4937 0.7746 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 0.6776 -0.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4018 -0.5058 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -0.4650 1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 -1.7708 1.9898 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 0.0977 2.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 -0.6449 3.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 0.0525 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 0.5880 2.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 -0.0158 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 1.2022 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 2.4204 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 3.5189 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 3.4055 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5946 4.4758 -0.8669 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4097 2.1887 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7819 1.9932 -0.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 1.1410 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3673 -1.0393 1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 -2.1761 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 -3.1970 2.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1885 -4.4008 2.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 -5.4077 2.9839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -4.6168 2.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 -3.6005 2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -3.7539 2.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5242 -2.3869 1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 -0.2607 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 -0.0662 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 2.7363 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 1.7355 -3.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 0.1063 -5.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 1.0144 -4.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 -1.2215 -3.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 1.3178 -2.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 2.9978 -3.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 2.2067 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2383 1.8558 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 -0.5699 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 -1.3889 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 0.1336 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 -1.9117 2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 1.1382 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 -0.9852 3.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1755 -1.0194 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 -0.0438 3.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 2.5717 0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 4.4720 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5802 4.3865 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2175 1.1150 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1709 0.1781 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -3.0588 2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -5.4753 3.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -5.5548 2.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 -4.5866 2.3719 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 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 3 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 25 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 1 0 40 42 2 0 42 2 1 0 14 5 1 0 23 16 1 0 33 26 1 0 42 35 1 0 5 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 16 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 24 61 1 0 27 62 1 0 28 63 1 0 30 64 1 0 32 65 1 0 33 66 1 0 36 67 1 0 38 68 1 0 39 69 1 0 41 70 1 0 M END