HMDB0127728 RDKit 3D Catechin 3'-glucuronide 55 58 0 0 0 0 0 0 0 0999 V2000 6.1139 -0.9617 -3.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 0.0413 -2.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5047 0.7245 -2.5405 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2834 0.4891 -1.4625 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1619 -0.3205 -1.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -0.3103 -0.2569 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2177 -0.7754 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9961 -0.2333 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -1.0113 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 -0.5674 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 -1.3970 -0.1421 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4694 -1.2595 0.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 -0.7941 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6483 -0.9913 1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9443 -0.5238 1.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8292 -0.7262 3.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4149 0.1600 0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5354 0.3636 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0219 1.0488 -1.3075 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 -0.1091 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2929 0.0976 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2855 -1.0214 -1.4328 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9346 -2.1285 -1.9863 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 0.7084 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 1.4997 0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 1.0299 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 1.8979 0.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4034 -1.1932 0.6251 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7431 -1.5601 1.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6072 -0.3325 0.8971 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7493 -1.1266 1.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 0.7140 -0.1207 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5215 1.9908 0.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7162 1.6016 -2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 1.4932 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5791 0.7253 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 -2.0075 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -2.4623 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2709 -1.5322 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4906 -1.2196 3.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4305 0.5227 0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5060 1.2621 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 1.1022 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 0.0525 -2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 -0.6536 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2489 -1.8268 -2.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 1.0935 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 2.5032 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 2.8258 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 -2.0667 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -2.4019 1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 0.1748 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 -1.5875 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 0.7787 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0661 2.2402 1.1479 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 6 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 6 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 28 50 1 6 29 51 1 0 30 52 1 1 31 53 1 0 32 54 1 6 33 55 1 0 M END