HMDB0303048 RDKit 3D Quercetin 3-(6''-acetyl-galactoside) 7-rhamnoside 78 82 0 0 0 0 0 0 0 0999 V2000 -9.4674 0.1807 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1607 -0.4197 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6959 -1.3243 -2.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4311 -0.0593 -0.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1887 -0.6445 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6233 -0.0409 1.1406 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4537 -0.6517 1.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 0.0415 1.6203 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6631 0.2712 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 0.0558 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -1.0921 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 -2.3010 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -2.3146 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -3.5330 -1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 -4.7120 -0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -5.8815 -1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 -4.7300 -0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 -5.9530 -0.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -3.5167 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -1.1665 -0.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -0.1725 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -0.3106 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 0.7327 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 0.5077 -0.2392 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0242 1.4090 -0.0641 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6692 1.5390 -1.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 0.5035 -1.5004 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0017 0.4693 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8143 0.8718 -0.6722 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7347 -0.1792 -0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 1.2172 0.7430 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6217 2.5588 1.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 0.8262 0.9839 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5653 1.3145 2.2149 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 1.9226 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 2.0877 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.2839 0.9084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 1.0241 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 1.1702 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 2.2762 0.7829 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.4003 2.2510 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5210 1.1919 3.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 2.1397 1.2116 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8787 2.0463 -0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 1.4273 1.1746 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4323 1.9624 0.0799 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8926 0.6198 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1094 -0.6291 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3185 0.9145 -2.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3394 -1.7357 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5299 -0.4605 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3547 -0.4317 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5812 -0.4319 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 -1.4238 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -3.5030 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -6.7512 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 -5.9397 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2712 -3.5028 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.2855 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 2.4186 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1819 -0.4513 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 -0.5397 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8663 1.1641 -3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1992 0.7367 -3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 1.7530 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0896 -0.2666 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0153 0.6064 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 3.1466 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 -0.2937 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 0.8362 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7159 2.7778 0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 4.0583 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 1.8892 2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 0.6076 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5444 3.2051 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6327 2.9452 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3015 1.7944 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9945 2.7444 0.3522 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 11 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 23 35 2 0 35 36 1 0 36 37 1 0 36 38 2 0 38 39 1 0 39 40 2 0 8 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 6 1 0 39 10 1 0 19 12 1 0 38 21 1 0 33 25 1 0 1 47 1 0 1 48 1 0 1 49 1 0 5 50 1 0 5 51 1 0 6 52 1 1 8 53 1 1 13 54 1 0 14 55 1 0 16 56 1 0 18 57 1 0 19 58 1 0 22 59 1 0 25 60 1 1 27 61 1 1 28 62 1 0 28 63 1 0 28 64 1 0 29 65 1 6 30 66 1 0 31 67 1 1 32 68 1 0 33 69 1 1 34 70 1 0 35 71 1 0 37 72 1 0 41 73 1 1 42 74 1 0 43 75 1 1 44 76 1 0 45 77 1 1 46 78 1 0 M END