HMDB0060839 RDKit 3D N-Desmethyl-p-O-sulfate rosiglitazone 46 48 0 0 0 0 0 0 0 0999 V2000 -6.7981 3.2538 2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6748 2.2576 1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2953 2.0665 0.4266 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3913 0.7197 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3707 0.1126 -0.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1481 -0.0537 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1386 0.2862 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -0.3919 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -1.6144 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -2.2614 -0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4059 -1.6611 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1865 -2.3057 -0.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 -1.6701 0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 -2.5446 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 -2.0357 1.4705 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 -0.9641 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7992 -0.3449 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 0.7336 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 1.2021 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 2.2689 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 2.1107 -0.8580 S 0 0 0 0 0 6 0 0 0 0 0 0 7.8153 0.9459 -1.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9692 1.9561 0.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1228 3.5390 -1.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 0.5447 1.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 -0.4884 1.9053 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 -0.4414 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 0.1929 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7121 0.7635 1.9530 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6641 2.8526 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3275 -1.1147 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6143 0.0767 -1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 1.4081 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4253 -2.0641 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -3.2274 -1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -0.6804 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -1.5727 1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -3.5816 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -2.6513 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 -2.5342 2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -0.6885 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4723 1.2083 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7947 4.3157 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 0.8999 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 0.0304 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 1.1468 0.6607 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 1 0 21 22 2 0 21 23 2 0 21 24 1 0 19 25 1 0 25 26 2 0 11 27 1 0 27 28 2 0 6 29 1 0 29 2 1 0 28 8 1 0 26 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 17 41 1 0 18 42 1 0 24 43 1 0 25 44 1 0 27 45 1 0 28 46 1 0 M END