HMDB0013855 RDKit 3D Sulfamethoxazole N1-glucuronide 48 50 0 0 0 0 0 0 0 0999 V2000 -1.0240 5.7158 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 4.2478 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 3.4143 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4715 2.1139 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 0.8697 0.9422 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -0.3723 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9376 -0.4721 -0.6075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -1.4873 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 -0.9644 -1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1486 0.2607 -1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.8135 -2.1526 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -2.4079 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 -3.1046 -0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 -1.7001 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 -1.4055 1.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 -0.3971 1.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5571 -0.3271 2.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7233 0.7790 1.5669 S 0 0 0 0 0 6 0 0 0 0 0 0 2.3175 2.1299 1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7439 0.1327 2.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 -0.1052 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9419 -1.4701 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7749 -2.1808 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 -1.5231 -1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -2.2032 -2.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 -0.1735 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 0.5181 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 2.2277 0.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 3.4560 -0.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 6.1649 0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6831 6.0982 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 6.0930 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 3.7151 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -1.2515 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 -2.1065 -1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9642 -1.6591 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 -3.1968 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 -3.9396 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 -2.4127 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5328 -2.2110 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 0.4536 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.2481 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -2.0394 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -3.2477 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 -2.5036 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -2.4069 -3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9099 0.3495 -2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 1.5907 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 1 0 18 19 2 0 18 20 2 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 4 28 2 0 28 29 1 0 29 2 1 0 16 6 1 0 27 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 6 34 1 0 8 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 M END