HMDB0060858 RDKit 3D o-O-sulfate rosiglitazone 49 51 0 0 0 0 0 0 0 0999 V2000 -2.7976 -0.9469 -2.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6036 -0.3682 -1.1508 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 0.3788 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 0.9314 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 1.6502 0.9268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 1.3172 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 0.0788 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.1751 0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 0.8355 1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 0.5751 1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0195 0.7968 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -0.3434 -1.0531 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5799 -1.6258 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -2.7037 -1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -1.1383 0.1498 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3979 0.2482 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3808 1.0285 0.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 2.0805 1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 2.3241 1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5928 -0.5145 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3632 -1.3616 0.8849 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 -1.5893 1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4388 -0.9358 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7287 -0.0717 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7986 0.1336 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1387 1.0088 -1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9864 0.5838 -2.5361 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.1740 0.8088 -3.7744 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2184 1.4589 -2.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -1.0292 -2.4001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -0.2048 -3.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 -1.7177 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7726 -1.4457 -2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 1.2423 -1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 -0.2086 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 0.1387 1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 1.6370 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 -0.7297 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -1.1888 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3862 -0.4703 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6465 1.2931 2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0149 1.8309 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 -1.7620 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9733 2.8801 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 3.3093 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 -2.2854 2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -1.1194 2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6714 0.4492 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 -1.5299 -3.1747 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 9 18 1 0 18 19 2 0 2 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 2 0 27 30 1 0 19 6 1 0 25 20 1 0 16 11 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 8 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 15 43 1 0 18 44 1 0 19 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 30 49 1 0 M END