HMDB0060837 RDKit 3D N-Desmethyl-o-O-sulfate rosiglitazone 46 48 0 0 0 0 0 0 0 0999 V2000 6.1433 3.7056 -1.7312 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 2.5225 -1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 1.4486 -1.2253 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1534 0.1814 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8148 -0.8253 -1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 0.1067 -1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0023 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -0.0806 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -1.2820 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -1.3467 1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 -0.2052 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 -0.2648 1.8989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6498 -1.5116 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -1.2959 2.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7536 -0.4805 1.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 -0.8494 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 -2.0464 -0.3652 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -2.4539 -1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 -1.6116 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 -0.3807 -2.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6486 0.0210 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1081 1.2244 -0.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 2.6249 -0.3780 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.7249 3.5193 -1.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 3.3662 0.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 2.2064 -0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 1.0001 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3739 1.0589 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 1.8196 -1.5624 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7057 1.5667 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 -0.6406 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 0.8178 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0533 -0.9468 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 -2.1724 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -2.2990 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -2.1949 2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -1.9980 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -2.2924 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 -0.8856 3.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 0.4399 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 -3.4194 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5257 -1.9090 -3.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3677 0.2764 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 1.5781 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 1.8902 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 2.0206 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 2 0 23 26 1 0 11 27 1 0 27 28 2 0 6 29 1 0 29 2 1 0 28 8 1 0 21 16 1 0 3 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 9 34 1 0 10 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 26 44 1 0 27 45 1 0 28 46 1 0 M END