HMDB0010326 RDKit 3D Thyroxine glucuronide 55 57 0 0 0 0 0 0 0 0999 V2000 -7.4526 -0.9282 0.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5177 0.3168 -0.5131 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2784 0.5012 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 0.4814 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -0.6824 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -0.7603 0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 -2.5895 1.2203 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 0.4345 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 0.4248 2.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6081 0.5770 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 0.5720 2.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 0.7266 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 0.7035 3.3749 I 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 0.8873 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 1.0348 0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1214 0.0275 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -0.0836 0.6776 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 -1.1467 0.3237 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0870 -1.2985 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1964 -0.5474 2.3416 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 -2.3144 1.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6624 -0.8914 -1.0304 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2755 -1.8489 -1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 0.4515 -1.5145 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4554 1.4569 -0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 0.3689 -1.5875 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2542 -0.5729 -2.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8794 0.8932 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 1.1310 -2.2605 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 0.7365 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 1.6457 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 3.4569 1.8333 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 1.6558 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7221 0.3720 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9609 1.3902 -2.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6309 -0.6880 -1.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7929 -1.6957 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8709 -0.9016 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5977 1.1404 0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 1.4879 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2571 -0.3437 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8292 -1.6017 -0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 0.4472 3.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 -0.9908 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -2.1159 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 -3.2725 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7721 -0.8312 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0151 -1.9000 -2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 0.7093 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2538 1.2376 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 1.3986 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 -1.1804 -2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 0.7413 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1732 2.5720 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2298 -0.7947 -0.5802 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 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 1 0 28 29 1 0 28 30 2 0 8 31 1 0 31 32 1 0 31 33 2 0 2 34 1 0 34 35 2 0 34 36 1 0 33 4 1 0 30 10 1 0 26 16 1 0 1 37 1 0 1 38 1 0 2 39 1 1 3 40 1 0 3 41 1 0 5 42 1 0 11 43 1 0 16 44 1 0 18 45 1 6 21 46 1 0 22 47 1 1 23 48 1 0 24 49 1 6 25 50 1 0 26 51 1 6 27 52 1 0 30 53 1 0 33 54 1 0 36 55 1 0 M END