HMDB0010346 RDKit 3D Triiodothyronine glucuronide 55 57 0 0 0 0 0 0 0 0999 V2000 8.8935 -2.2175 -0.4854 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8492 -1.1909 -0.4581 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5491 -1.9217 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 -0.9688 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 -0.5246 -1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.3595 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 0.9543 -3.2673 I 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 0.8137 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2149 1.6903 -0.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 1.2881 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -0.0383 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -0.3941 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 0.5518 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0892 0.0424 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 0.3839 0.0578 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0452 -0.0694 1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 0.0801 1.1757 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1407 -1.1982 1.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3854 -1.1894 1.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4718 -2.4000 1.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8862 1.0541 0.1244 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6681 2.3831 0.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 0.7189 -1.2468 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3936 0.1448 -2.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -0.1274 -1.1685 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3637 0.1575 -2.2811 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 1.8656 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 3.4027 -0.0304 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.1176 2.2208 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 0.3831 0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1725 1.0239 2.8314 I 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 -0.5094 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.3104 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9505 -0.5869 1.5486 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3062 0.8318 0.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4974 -3.1115 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 -2.3287 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8739 -0.6170 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -2.4716 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 -2.6384 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 -0.8859 -2.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 -0.7819 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -1.4493 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5667 1.4658 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6983 0.5552 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4894 -2.5066 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0108 0.9399 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3657 2.3741 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 1.6772 -1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8733 0.8236 -2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3712 -1.2086 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6265 -0.3710 -3.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 3.2995 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -0.8354 1.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 1.3672 0.0799 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 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 8 30 1 0 30 31 1 0 30 32 2 0 2 33 1 0 33 34 2 0 33 35 1 0 32 4 1 0 29 10 1 0 25 15 1 0 1 36 1 0 1 37 1 0 2 38 1 6 3 39 1 0 3 40 1 0 5 41 1 0 11 42 1 0 12 43 1 0 15 44 1 1 17 45 1 1 20 46 1 0 21 47 1 6 22 48 1 0 23 49 1 6 24 50 1 0 25 51 1 1 26 52 1 0 29 53 1 0 32 54 1 0 35 55 1 0 M END