HMDB0037368 RDKit 3D Quercetin 3-(6''-malonyl-glucoside) 61 64 0 0 0 0 0 0 0 0999 V2000 4.6645 -3.3116 -6.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 -3.5007 -5.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 -3.9619 -4.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 -3.2367 -3.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 -1.8150 -3.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -1.0283 -4.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -1.2326 -2.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 0.1659 -2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 0.6170 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 0.2626 -1.4389 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 0.3513 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 0.6145 -0.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 0.0785 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 0.8446 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 2.2728 1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 2.8387 2.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 4.1766 2.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3258 5.0012 1.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 6.3551 2.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 4.4737 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 5.2917 -0.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 3.0924 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 0.2128 1.8805 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 -1.0527 1.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6261 -1.5379 2.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 -2.8982 2.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8442 -3.3592 3.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3191 -3.7585 1.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 -3.2251 0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8262 -4.1039 0.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 -1.8857 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 -1.3099 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5723 -1.9556 -0.7818 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 1.1723 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 2.4535 0.4752 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0989 0.3974 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -0.8959 1.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 0.3068 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 -0.9315 0.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8136 -3.5645 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -3.5661 -4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -3.9214 -3.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 0.6598 -3.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 0.3995 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5187 1.7560 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.7209 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 2.1977 3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 4.5778 3.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9773 7.0871 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2246 6.2796 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 2.7166 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0851 -0.8590 3.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5281 -3.6819 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 -4.8015 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -3.9963 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 1.1649 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 2.9237 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 0.8062 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 -1.5217 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 1.0518 0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 -0.9658 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 2 0 14 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 32 33 2 0 11 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 9 1 0 32 13 1 0 22 15 1 0 31 24 1 0 3 40 1 0 4 41 1 0 4 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 11 46 1 0 16 47 1 0 17 48 1 0 19 49 1 0 21 50 1 0 22 51 1 0 25 52 1 0 27 53 1 0 28 54 1 0 30 55 1 0 34 56 1 0 35 57 1 0 36 58 1 0 37 59 1 0 38 60 1 0 39 61 1 0 M END