HMDB0041728 RDKit 3D (-)-Epicatechin 3'-O-glucuronide 55 58 0 0 0 0 0 0 0 0999 V2000 -7.0234 -0.7217 -1.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8015 -0.9290 -1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1094 -1.1066 -2.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -0.9872 -0.4835 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7435 -1.2238 -0.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 -0.5769 0.2423 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5521 0.6836 -0.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.1180 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 0.4152 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 0.9006 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 0.1476 -0.7749 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3721 0.9487 -0.1893 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6172 0.3162 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7645 1.0469 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9915 0.4744 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1306 1.2309 0.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1169 -0.8933 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 -1.6473 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1296 -3.0040 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -1.0768 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5572 -1.9379 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 -1.1226 -0.0008 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3719 -0.8404 1.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 2.2043 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 2.9720 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1922 2.4337 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 3.2123 -1.1561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5047 -0.5128 1.6308 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4468 -1.7780 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8613 0.1020 1.6772 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9538 1.2492 2.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3983 0.2761 0.2596 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8005 0.3723 0.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0286 -2.0075 -3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5092 -1.8324 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0037 -1.1976 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -0.5947 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -0.0990 -1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 2.1173 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 1.5754 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0801 -1.3959 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 -3.6163 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 -2.1689 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -2.8748 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -1.7918 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 0.0695 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 2.6370 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 4.0007 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2955 4.1509 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8194 0.1345 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5412 -2.4370 1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5499 -0.6536 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 1.9991 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0183 1.1844 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1477 1.0551 -0.3131 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 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 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 10 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 6 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 4 1 0 26 8 1 0 22 11 1 0 20 13 1 0 3 34 1 0 4 35 1 1 6 36 1 1 9 37 1 0 11 38 1 6 14 39 1 0 16 40 1 0 17 41 1 0 19 42 1 0 21 43 1 0 21 44 1 0 22 45 1 1 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 28 50 1 1 29 51 1 0 30 52 1 1 31 53 1 0 32 54 1 6 33 55 1 0 M END