HMDB0040488 RDKit 3D Quercetin 3-xylosyl-(1->6)-glucoside 70 74 0 0 0 0 0 0 0 0999 V2000 -1.3668 2.2593 -1.2408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5118 1.8073 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 0.5164 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 -0.1014 -0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 -0.8425 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 -0.0163 -1.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1515 0.3270 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 0.1979 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 0.5626 0.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 0.5175 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 1.7845 0.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5865 2.1453 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 1.3795 2.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9807 2.0073 2.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 0.0178 1.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 -0.8952 2.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -0.4175 1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -1.6974 1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8077 -0.5128 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -0.3244 1.9799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 -1.9688 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 -2.5870 0.5652 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 -2.1418 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 -2.6813 -1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 0.0142 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -1.2911 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5146 -1.8558 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 -3.0737 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1202 -3.7814 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5242 -5.0299 1.2637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9032 -3.2518 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 -3.9441 1.9648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -2.0142 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 0.7609 -1.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8074 1.9484 -1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8987 2.6628 -2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 3.9204 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7785 4.6179 -3.2664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 4.5340 -2.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 3.8085 -2.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 4.4024 -2.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5585 2.5294 -1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -0.9959 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 1.4118 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -0.8600 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 0.8669 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9499 0.1655 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 3.2186 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 2.0860 2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6158 1.2335 3.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2702 1.9050 1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3835 -0.0205 1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0588 -0.5138 3.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8231 -0.5070 2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0823 -2.3919 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1366 -0.1782 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 0.5410 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1384 -2.4095 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4837 -2.2277 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -2.9202 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -3.5593 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 -1.3053 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8836 -3.5207 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9012 -5.5204 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1803 -3.6385 2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -1.6410 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 2.1776 -2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0422 4.5436 -4.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 5.5234 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 4.2439 -2.0721 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 7 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 23 5 1 0 33 26 1 0 42 35 1 0 17 10 1 0 5 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 10 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 17 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