HMDB0061137 RDKit 3D Dihydroisomorphine-6-glucuronide 62 67 0 0 0 0 0 0 0 0999 V2000 -5.7732 -1.1881 -1.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3669 -0.9341 -1.3208 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 0.4484 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 0.9018 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8373 0.1002 -0.6062 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0819 0.5578 0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 0.0791 1.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 0.6043 2.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 1.6020 3.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 2.0589 2.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 3.0452 2.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1739 1.5280 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3639 1.7045 -0.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 0.4784 -0.7674 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5504 -0.4571 -0.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8244 -0.2713 -0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 0.1010 0.3396 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7345 -0.8661 0.3488 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 -0.4126 0.0746 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9105 -1.5655 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 -2.7322 -0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 -1.4039 -0.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 0.4196 -1.1909 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3010 1.1090 -1.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 1.4347 -1.2934 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0478 1.0013 -2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2422 1.4739 0.0208 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9994 2.0360 1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 -1.9158 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 -2.0885 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 -1.3593 -0.6218 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6014 -1.5004 -0.2318 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9578 -0.9764 1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -0.2933 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9059 -1.9080 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0981 -1.7577 -2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 0.7055 -2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 1.0224 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 1.9569 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 0.9855 -2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 0.2494 3.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 2.0353 4.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 3.5026 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 0.6632 -1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5713 -0.2619 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 0.1457 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 0.1596 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 -1.9133 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -0.2208 -2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 1.4688 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3326 2.4245 -1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 0.3516 -2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 2.1232 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 1.6898 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -2.2028 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9021 -2.5095 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2675 -1.5997 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 -3.1533 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 -1.7137 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 -2.6048 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 -1.7938 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 -0.5643 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 5 4 1 6 5 6 1 0 6 7 2 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 15 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 2 1 0 14 5 1 0 27 17 1 0 31 5 1 0 12 6 1 0 33 7 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 8 41 1 0 9 42 1 0 11 43 1 0 14 44 1 6 15 45 1 1 17 46 1 1 19 47 1 1 22 48 1 0 23 49 1 6 24 50 1 0 25 51 1 6 26 52 1 0 27 53 1 6 28 54 1 0 29 55 1 0 29 56 1 0 30 57 1 0 30 58 1 0 31 59 1 6 32 60 1 1 33 61 1 0 33 62 1 0 M END