HMDB0002728 RDKit 3D Thyroxine sulfate 39 40 0 0 0 0 0 0 0 0999 V2000 3.4377 1.7248 0.9755 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2484 0.5540 1.0251 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2356 -0.0836 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 -0.4559 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3086 -1.6920 -0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -2.0016 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -3.8891 -0.4172 I 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -1.0759 -1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -1.3387 -1.9556 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -1.0452 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8888 -0.4909 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 -0.2027 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 0.6366 2.8431 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 -0.4828 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3059 -0.1940 1.3148 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 1.3010 1.3262 S 0 0 0 0 0 6 0 0 0 0 0 0 -6.6370 1.5837 2.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 2.3500 0.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3852 1.2633 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4532 -1.0364 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -1.4525 -1.4283 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.3821 -1.3300 -1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 0.1706 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 1.6100 -2.8900 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 0.4436 -1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6433 0.7962 1.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0649 1.9414 1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 -0.2872 1.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 2.4105 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1782 2.1191 1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 -0.1741 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.6962 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 -0.9413 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8965 -2.4347 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -0.2848 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5677 2.1483 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5524 -1.7611 -2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4433 1.4272 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -0.5221 2.3675 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 2 0 16 18 2 0 16 19 1 0 14 20 1 0 20 21 1 0 20 22 2 0 8 23 1 0 23 24 1 0 23 25 2 0 2 26 1 0 26 27 2 0 26 28 1 0 25 4 1 0 22 10 1 0 1 29 1 0 1 30 1 0 2 31 1 1 3 32 1 0 3 33 1 0 5 34 1 0 11 35 1 0 19 36 1 0 22 37 1 0 25 38 1 0 28 39 1 0 M END