HMDB0041659 RDKit 3D 3'-O-Methylepicatechin 7-O-glucuronide 58 61 0 0 0 0 0 0 0 0999 V2000 6.8048 0.9721 2.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -0.3935 2.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -0.9078 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 -0.0567 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 -0.5663 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 0.2528 -1.2371 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2941 -0.4383 -1.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0572 0.1580 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -0.5901 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -0.0051 -0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 -0.7627 -0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7108 -0.3785 -0.0541 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1383 -0.7537 1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3813 -0.2739 1.5427 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8137 -0.6288 2.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9239 -0.2512 3.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9969 -1.3757 3.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4424 -0.6219 0.5205 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6872 -0.1564 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0004 -0.1585 -0.8533 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9506 -0.4400 -1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -0.8448 -1.1321 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1540 -0.4117 -2.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 1.3614 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 2.1381 -0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 3.5251 -0.9143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 1.5249 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 2.2955 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.6239 -0.6257 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9306 1.5811 0.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 -1.9303 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2856 -2.7823 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 -2.2557 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 -3.0836 1.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 1.2335 3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 1.1891 3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.6349 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 0.9934 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.3938 -2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -1.6768 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 0.7244 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 0.8543 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 -1.0792 4.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5048 -1.7414 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3162 -0.3637 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 0.9259 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5599 -1.1057 -2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 -1.9295 -1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -1.2020 -2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 1.9158 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 3.9820 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 2.1901 -2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 3.3659 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 2.2029 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 2.3693 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -2.3394 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 -3.8356 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9643 -4.0674 1.5865 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 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 5 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 29 6 1 0 27 8 1 0 22 12 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 6 39 1 6 9 40 1 0 12 41 1 1 14 42 1 1 17 43 1 0 18 44 1 6 19 45 1 0 20 46 1 1 21 47 1 0 22 48 1 6 23 49 1 0 24 50 1 0 26 51 1 0 28 52 1 0 28 53 1 0 29 54 1 1 30 55 1 0 31 56 1 0 32 57 1 0 34 58 1 0 M END