HMDB0029164 RDKit 3D (-)-epicatechin-3'-O-glucuronide 56 59 0 0 0 0 0 0 0 0999 V2000 5.4682 0.7578 2.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 1.0465 1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -0.1310 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 0.2696 -0.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -0.2818 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 0.2334 -1.5951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 0.8658 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.1091 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 1.7717 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 1.9730 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 0.7622 1.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 -0.2641 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 -1.5538 1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -2.5967 1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2328 -3.8741 1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -2.3248 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -1.0485 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1834 -0.7783 -0.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 0.0143 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4369 1.3576 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 2.3919 0.4546 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7175 3.6414 -0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 2.1803 -1.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 1.9321 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2293 1.2811 -2.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9613 1.0751 -4.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -1.7710 -0.7779 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5464 -1.8253 -1.9172 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -2.3668 0.4001 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2412 -3.4224 -0.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 -1.4065 1.2177 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5690 -1.2180 2.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 0.8800 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 1.4804 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2419 1.8499 0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6463 -0.2097 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 -0.1503 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2283 0.7833 0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 2.7246 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -1.7530 2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4815 -4.2179 2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4056 -3.1400 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4006 0.1400 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 1.3576 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4675 1.6022 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 2.5343 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7869 4.3703 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 2.6836 -1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3641 2.2738 -3.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 0.6027 -4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -2.2847 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 -0.9717 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 -2.8801 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 -3.1919 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 -1.9515 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -0.3319 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 9 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 5 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 3 1 0 25 7 1 0 21 10 1 0 19 12 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 5 37 1 0 8 38 1 0 10 39 1 0 13 40 1 0 15 41 1 0 16 42 1 0 18 43 1 0 20 44 1 0 20 45 1 0 21 46 1 1 22 47 1 0 23 48 1 0 24 49 1 0 26 50 1 0 27 51 1 6 28 52 1 0 29 53 1 1 30 54 1 0 31 55 1 1 32 56 1 0 M END