HMDB0041757 RDKit 3D Isorhamnetin 4'-O-glucuronide 55 58 0 0 0 0 0 0 0 0999 V2000 -0.3626 2.5881 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 1.3586 -0.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 0.1248 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 0.0568 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -1.1453 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -1.1088 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 0.0750 0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 0.2627 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 1.5453 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8826 1.7735 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 3.0789 0.8973 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7355 0.6925 0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 -0.5845 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 -1.6783 0.6676 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8733 -0.8033 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -2.0579 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0518 -3.0668 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 -2.2197 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 -3.4948 -0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -2.2702 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 -2.2331 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 -1.0027 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -1.0867 -0.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 -0.1573 -0.6653 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3902 -0.4087 0.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3326 0.6129 0.2685 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9102 0.9879 1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 0.4170 2.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8611 1.9866 1.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3958 0.0891 -0.6974 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1891 1.0890 -1.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -0.6886 -1.7565 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6234 -2.0420 -1.5149 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2488 -0.1916 -1.9602 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2992 1.0388 -2.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 2.6848 0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 2.7737 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 3.3837 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 0.9688 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 2.3926 0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6463 3.5302 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7872 0.8929 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0624 -1.6223 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -4.2957 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -3.2544 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 -3.1595 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1238 0.8920 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8927 1.5108 -0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6383 2.9661 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9899 -0.6522 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7055 1.9495 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1934 -0.5271 -2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 -2.2553 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 -0.9133 -2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1238 1.1976 -3.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 5 20 2 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 2 0 27 29 1 0 26 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 22 3 1 0 34 24 1 0 18 6 2 0 15 8 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 9 40 1 0 11 41 1 0 12 42 1 0 14 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 24 47 1 1 26 48 1 6 29 49 1 0 30 50 1 1 31 51 1 0 32 52 1 6 33 53 1 0 34 54 1 6 35 55 1 0 M END