HMDB0039333 RDKit 3D Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside 77 81 0 0 0 0 0 0 0 0999 V2000 8.8353 -0.2675 -2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -0.1901 -1.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 0.7614 -2.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9471 -1.2195 -1.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 -1.2047 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 -2.4492 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 -2.6872 -2.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 -2.3543 -0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 -1.7458 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 -0.4181 0.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -0.1534 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -0.1214 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -0.3230 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -0.5675 -2.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1802 -0.7065 -4.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 -0.5986 -4.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -0.7338 -6.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 -0.3541 -3.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 -0.2414 -4.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 -0.2216 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 0.1194 -0.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2438 0.3256 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 0.5719 1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 0.7951 2.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3662 1.0450 2.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4579 1.1082 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7812 2.4714 1.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9163 2.6646 1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 4.1031 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0955 2.1773 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 2.4986 1.4184 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9357 0.6754 2.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2267 0.0960 0.9301 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5879 0.3127 2.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5317 0.4988 4.0732 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 0.7705 3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 0.5287 3.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 0.4985 4.4462 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3623 0.3083 2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 0.0638 1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 0.0445 2.7864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -1.8324 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -3.1579 1.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -1.1584 0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -1.8257 1.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8658 -0.5623 -3.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4107 -1.0028 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3177 0.7048 -2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.2841 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -3.2904 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9114 -2.0501 -2.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 -2.5780 -3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 -3.7417 -2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3832 -2.3736 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -0.6615 -2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -0.8960 -4.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 -0.9127 -6.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 -0.3377 -5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 -0.0075 -1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 0.5855 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 0.8024 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8275 2.0709 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8656 4.1808 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3085 4.7805 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0455 4.3894 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9956 2.6244 3.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6310 3.3725 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6959 0.3053 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7177 0.7247 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3964 -0.7577 2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3556 1.4529 4.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 0.9356 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 0.6396 5.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -1.2858 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 -3.2707 2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -0.0986 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.3651 2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 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 16 18 1 0 18 19 1 0 18 20 2 0 12 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 24 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 2 0 9 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 5 1 0 40 11 1 0 20 13 1 0 39 22 1 0 34 26 1 0 1 46 1 0 1 47 1 0 1 48 1 0 5 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 7 53 1 0 9 54 1 0 14 55 1 0 15 56 1 0 17 57 1 0 19 58 1 0 20 59 1 0 23 60 1 0 26 61 1 0 28 62 1 0 29 63 1 0 29 64 1 0 29 65 1 0 30 66 1 0 31 67 1 0 32 68 1 0 33 69 1 0 34 70 1 0 35 71 1 0 36 72 1 0 38 73 1 0 42 74 1 0 43 75 1 0 44 76 1 0 45 77 1 0 M END