HMDB0060872 RDKit 3D Sorafenib beta-D-Glucuronide 68 71 0 0 0 0 0 0 0 0999 V2000 7.0911 -0.6658 -4.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3897 0.0842 -3.0827 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 0.2607 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2454 -0.2137 -2.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 1.0114 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 1.1897 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9348 1.8903 1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 2.0454 2.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6484 1.4865 1.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 2.2163 1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 1.6943 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 0.4312 1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -0.1800 1.1253 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 0.3731 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 1.5401 0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 -0.3728 0.3348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -1.7268 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 -2.7543 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 -4.0610 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 -4.4140 1.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7883 -6.0977 2.1401 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 -3.3831 2.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 -3.7414 3.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7775 -4.4114 4.2499 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 -4.5479 4.3122 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6113 -2.6129 4.8004 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -2.0727 2.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 0.1838 -0.2926 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3666 0.6410 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5628 0.5838 -2.2993 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4559 1.3224 -3.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3726 1.8743 -3.8788 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5203 1.4096 -4.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 0.9884 -1.5034 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6042 -0.1030 -1.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4712 1.7967 -0.2851 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4202 3.1385 -0.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 1.3847 0.4466 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4775 1.1196 1.7688 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 -0.3010 2.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3267 0.2073 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1865 2.4188 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 2.2182 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 1.5248 -0.6738 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 -1.6342 -4.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -0.8303 -4.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 -0.0926 -5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3349 0.4899 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7127 0.7802 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9123 3.2342 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 2.3156 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 -1.1863 1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6723 -2.5491 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -4.8821 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 -1.2521 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 -0.5497 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 -0.4943 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3826 0.9417 -4.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3872 1.6373 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -0.5613 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 1.6754 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 3.2983 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4901 2.2264 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 0.1774 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.3268 2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0787 -0.3851 2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4114 2.9714 2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1249 2.6204 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 22 27 2 0 16 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 30 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 12 40 1 0 40 41 2 0 7 42 2 0 42 43 1 0 43 44 2 0 44 5 1 0 41 9 1 0 27 17 1 0 38 28 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 6 49 1 0 10 50 1 0 11 51 1 0 13 52 1 0 18 53 1 0 19 54 1 0 27 55 1 0 28 56 1 6 30 57 1 6 33 58 1 0 34 59 1 6 35 60 1 0 36 61 1 1 37 62 1 0 38 63 1 1 39 64 1 0 40 65 1 0 41 66 1 0 42 67 1 0 43 68 1 0 M END