HMDB0240215 RDKit 3D 2-Methoxyacetaminophen glucuronide 44 45 0 0 0 0 0 0 0 0999 V2000 3.7996 -2.5878 1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -1.5004 1.0262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -0.7891 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 -1.0811 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 -0.3642 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 -0.7345 0.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8848 -0.1483 -0.1120 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5279 0.4140 0.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 0.9732 0.6387 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2470 1.8747 1.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 2.0497 2.7185 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4593 2.5244 1.5077 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 -0.2162 0.4108 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9859 0.1946 0.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 -0.9141 -0.8096 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8636 -2.1533 -0.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7266 -1.1007 -0.8959 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3535 -1.0397 -2.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 0.6610 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 1.0122 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 0.2910 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 0.5709 -0.6032 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1391 1.5918 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 1.7420 -1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 2.3958 -2.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -2.2638 2.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 -3.4175 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 -2.9882 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3626 -1.9045 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6278 0.6948 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 1.5160 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5096 3.3910 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5194 -0.8954 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 0.3627 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5684 -0.3354 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0841 -2.4676 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.1294 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -1.5382 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 1.2713 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 1.8361 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -0.0601 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 1.0199 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9601 2.7673 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 1.4750 -2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 5 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 2 0 21 3 1 0 17 7 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 7 30 1 6 9 31 1 6 12 32 1 0 13 33 1 1 14 34 1 0 15 35 1 6 16 36 1 0 17 37 1 1 18 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 24 42 1 0 24 43 1 0 24 44 1 0 M END