HMDB0060110 RDKit 3D 3',5'-Diiodo-L-thyronine-beta-D-glucuronoside 55 57 0 0 0 0 0 0 0 0999 V2000 7.7918 1.4025 -0.1135 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -0.0201 0.0972 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6009 -0.5070 0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -0.2162 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 0.9769 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 1.3096 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 0.4067 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 0.7143 -1.7524 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 0.3662 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 -0.8467 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -1.1660 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -3.0761 -1.5159 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -0.3222 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1448 -0.6649 0.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 -0.3717 -0.1614 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9537 0.6036 0.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1553 1.0142 0.2096 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6289 2.3260 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7124 2.7871 0.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 3.0842 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1535 -0.0924 0.5060 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0609 -0.5286 1.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7421 -1.2468 -0.3783 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5325 -2.3710 -0.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2877 -1.5611 -0.3363 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9767 -2.5881 0.5556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 0.9019 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 2.2552 1.4753 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 1.2201 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 -0.7783 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 -1.1041 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0137 -0.3823 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 -1.5551 1.2215 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8791 0.6190 1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6850 1.8560 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4476 1.6157 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9014 -0.5009 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -1.5557 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6023 0.0731 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 1.7099 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9797 2.2523 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -1.5125 -2.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3287 0.1567 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0505 1.0225 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4945 3.9648 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1817 0.1989 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5892 -1.3641 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9909 -0.9037 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8271 -2.8022 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -1.9914 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -2.1843 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 2.1732 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 -1.4961 -2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 -2.0377 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7383 0.7366 0.7717 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 13 27 1 0 27 28 1 0 27 29 2 0 7 30 1 0 30 31 2 0 2 32 1 0 32 33 2 0 32 34 1 0 31 4 1 0 29 9 1 0 25 15 1 0 1 35 1 0 1 36 1 0 2 37 1 6 3 38 1 0 3 39 1 0 5 40 1 0 6 41 1 0 10 42 1 0 15 43 1 6 17 44 1 6 20 45 1 0 21 46 1 6 22 47 1 0 23 48 1 6 24 49 1 0 25 50 1 6 26 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 34 55 1 0 M END