HMDB0037356 RDKit 3D Quercetin 4',7-diglucoside 74 78 0 0 0 0 0 0 0 0999 V2000 1.0948 0.4233 -4.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 0.3241 -3.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 0.2154 -2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4114 0.2235 -3.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 0.1080 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 -0.0069 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 -0.0756 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -0.1932 1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 -0.2530 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3996 -0.3704 1.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7372 -0.4674 1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2141 -1.6266 1.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5426 -1.8801 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8545 -2.7020 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4375 -2.1064 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4036 -0.6355 1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6198 -0.0264 0.6637 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5985 0.3386 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -0.3648 3.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4205 0.7853 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8386 1.6333 0.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 -0.1860 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 -0.2390 -1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0309 -0.0653 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 0.1126 -0.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 0.2117 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 0.2048 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 0.3054 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 0.2941 0.3083 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5645 0.3642 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1598 1.4672 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4112 1.7212 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3651 2.2424 1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5301 1.3353 2.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0204 0.5984 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 0.7670 -0.6206 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7284 -0.7614 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7668 -1.6414 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3597 -0.8431 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 -0.8318 1.8704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 0.4112 -1.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 0.4214 -2.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 0.5302 -4.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 0.3212 -2.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 0.3019 -4.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 -0.0308 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -0.2445 2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0363 -0.4950 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8741 -2.5184 2.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3945 -3.7061 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9579 -2.8555 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -2.7520 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3491 -0.8179 2.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5859 0.1907 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2290 1.1928 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9249 0.2260 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 1.3621 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 1.1627 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3962 -0.1875 -2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -0.0207 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7156 0.1202 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 0.4123 -1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 2.5803 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9878 3.2224 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3719 2.4313 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0635 1.7815 2.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7766 0.6628 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7998 1.1010 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 -1.1342 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 -1.2701 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 -1.7886 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5843 -1.7507 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.4953 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 0.6050 -4.5855 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 3 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 9 22 1 0 22 23 1 0 22 24 2 0 5 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 32 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 28 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 2 1 0 24 6 1 0 44 26 1 0 20 11 1 0 39 30 1 0 4 45 1 0 7 46 1 0 8 47 1 0 11 48 1 0 13 49 1 0 14 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 23 59 1 0 24 60 1 0 27 61 1 0 30 62 1 0 32 63 1 0 33 64 1 0 33 65 1 0 34 66 1 0 35 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 40 72 1 0 41 73 1 0 43 74 1 0 M END