HMDB0041782 RDKit 3D trans-Resveratrol 3-O-glucuronide 49 51 0 0 0 0 0 0 0 0999 V2000 -4.3210 2.8849 -2.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1443 2.1102 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4871 2.3055 -2.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 1.0024 -0.9794 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3550 1.0213 -0.8899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 0.2510 0.1058 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4249 0.2476 0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 -0.7821 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 -2.0829 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -3.0904 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -4.4116 -0.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -2.7645 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 -1.4638 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -1.2152 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 -0.0439 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2169 0.1978 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1353 -0.7952 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4754 -0.5258 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 0.7537 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3005 0.9546 0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0326 1.7888 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 1.5044 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 -0.4759 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 0.6842 1.4676 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6599 0.0811 2.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 0.2603 1.4255 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4374 0.5091 2.6431 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4778 0.9708 0.2847 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7619 0.4182 0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8351 3.2025 -2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9826 0.0580 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 -0.7765 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 -2.3639 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 -4.6386 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 -3.5840 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -2.0694 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 0.8210 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8358 -1.8138 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2004 -1.3476 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7332 1.1382 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 2.7995 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 2.3132 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 0.5738 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 1.7793 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 0.6041 3.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8113 -0.8504 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 1.4823 2.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 2.0162 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9559 0.3616 -0.8949 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 10 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 13 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 23 8 1 0 22 16 1 0 3 30 1 0 4 31 1 6 6 32 1 6 9 33 1 0 11 34 1 0 12 35 1 0 14 36 1 0 15 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 1 25 45 1 0 26 46 1 6 27 47 1 0 28 48 1 1 29 49 1 0 M END