HMDB0060022 RDKit 3D Urolithin A-8-O-glucuronide 45 48 0 0 0 0 0 0 0 0999 V2000 -3.0483 2.0844 -1.5045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 1.7738 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 2.1310 -1.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 1.0633 0.2358 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2373 0.7711 0.8967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -0.1706 0.2797 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3495 0.4027 -0.3971 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0104 0.2439 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5376 -0.5141 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -0.6351 1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 0.0554 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 0.8530 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 0.9242 -0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 1.5280 -1.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3413 1.4845 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 2.1309 -2.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 0.7256 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 0.6800 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -0.0734 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 -0.0725 0.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0995 -0.7820 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 -0.7629 1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1514 0.0016 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -1.1168 -0.6004 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5030 -2.3014 -0.8003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5229 -1.4024 0.1601 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2149 -2.4605 -0.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3298 -0.1143 0.0737 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3624 -0.0982 0.9992 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9881 2.7647 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9527 1.7984 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0297 -0.8008 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 -1.0678 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -1.2418 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 1.5416 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 1.2648 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8090 -0.5996 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 -1.3800 2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 -1.3229 2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -0.6271 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7361 -2.6285 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2214 -1.5888 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6129 -3.2063 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7911 -0.1000 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4618 0.8450 1.3245 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 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 6 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 4 1 0 13 8 1 0 23 17 1 0 23 11 1 0 3 30 1 0 4 31 1 1 6 32 1 1 9 33 1 0 10 34 1 0 13 35 1 0 18 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 24 40 1 6 25 41 1 0 26 42 1 1 27 43 1 0 28 44 1 6 29 45 1 0 M END