HMDB0240499 RDKit 3D Dihydroresveratrol 3-glucuronide 51 53 0 0 0 0 0 0 0 0999 V2000 -6.6081 1.0695 2.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3695 0.9542 2.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 0.6589 3.2074 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 1.1511 0.8063 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5528 0.9886 0.7524 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 -0.1810 0.1094 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7955 -0.3443 0.3645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8049 -0.3484 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.1924 -1.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.2088 -2.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 -0.0423 -4.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.3904 -2.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6028 -0.5543 -0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 -0.7470 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 0.6116 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 0.5912 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 0.5080 1.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4571 0.4847 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5371 0.5463 1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8272 0.5212 1.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3186 0.6289 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0273 0.6520 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5169 -0.5298 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9854 -1.3651 0.5269 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4342 -2.4984 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 -1.1556 -0.1051 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3413 -1.8643 0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6621 0.3135 -0.1767 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4191 0.8443 -1.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 1.3177 3.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1137 2.2231 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 -0.0494 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -0.0501 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 0.9020 -4.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -0.4053 -2.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 -1.3511 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -1.2842 0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 1.1880 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 1.1591 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 0.4591 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6483 0.4196 3.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2759 1.3944 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 0.6785 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8928 0.7187 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -0.6609 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0244 -1.5242 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -2.3109 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3183 -1.5252 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0587 -1.9762 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7617 0.4265 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5427 0.1488 -2.1663 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 1 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 14 37 1 0 15 38 1 0 15 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 24 46 1 1 25 47 1 0 26 48 1 6 27 49 1 0 28 50 1 1 29 51 1 0 M END