HMDB0247733 RDKit 3D 3-(Glutathion-S-yl)acetaminophen 55 55 0 0 0 0 0 0 0 0999 V2000 5.9546 3.9352 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 2.8955 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 3.0475 -1.1376 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 1.8644 0.2382 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 0.8160 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 0.5061 -1.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -0.5260 -2.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -1.2549 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 -2.3159 -3.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 -0.9720 -1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 -1.8930 -0.4876 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 -1.1462 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -1.6227 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -0.9648 -0.4904 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8368 0.3603 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 0.8631 0.6697 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0485 1.1012 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 2.5207 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0774 2.8782 1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8618 2.5887 2.1179 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4027 4.3301 1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4838 4.7610 1.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 5.1306 2.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 -3.0514 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 -3.4175 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6676 -4.1072 -0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -5.4750 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 -5.6795 1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 -4.7410 2.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -6.9456 1.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 0.0605 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 4.8850 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 4.0465 1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 3.6295 1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2831 1.8868 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 1.0675 -2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -0.7613 -3.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -2.5497 -3.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 -1.4105 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.0367 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 -1.2129 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2879 -1.4269 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 0.8949 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 0.4948 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 3.1786 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2084 2.8814 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 2.3315 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 3.3282 1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 2.2606 3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 6.1369 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 -3.9495 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9184 -5.5727 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -6.1892 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 -7.7438 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7021 0.2848 0.6695 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 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 13 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 10 31 2 0 31 5 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 6 36 1 0 7 37 1 0 9 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 23 50 1 0 26 51 1 0 27 52 1 0 27 53 1 0 30 54 1 0 31 55 1 0 M END