HMDB0010316 RDKit 3D Acetaminophen glucuronide 40 41 0 0 0 0 0 0 0 0999 V2000 7.3014 -0.1667 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8033 -0.4177 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 -1.5848 0.1439 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9678 0.6818 -0.1758 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5555 0.5937 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -0.5850 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 -0.5597 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 0.5925 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 0.6640 -0.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5859 -0.3216 -0.2599 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3960 -0.2099 -1.3778 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6765 0.1912 -1.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7569 1.6236 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 2.2699 -0.7181 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9324 2.2869 -0.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4476 -0.7048 -0.2159 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1236 -1.6829 -0.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4812 -1.4617 0.7067 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1159 -1.9523 1.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 -0.4542 1.0360 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5435 -0.9220 2.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 1.7945 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 1.7897 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 0.7190 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7754 -1.0862 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 0.0411 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 1.6433 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.5398 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 -1.4957 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -1.3063 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 0.1196 -2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 2.1513 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1536 -0.1826 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7178 -1.2038 -1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 -2.2678 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6417 -2.7961 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 0.4937 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.1846 2.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 2.7227 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 2.7077 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 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 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 1 0 22 23 2 0 23 5 1 0 20 10 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 10 30 1 6 12 31 1 6 15 32 1 0 16 33 1 1 17 34 1 0 18 35 1 6 19 36 1 0 20 37 1 1 21 38 1 0 22 39 1 0 23 40 1 0 M END