HMDB0062550 RDKit 3D 2-Methoxyacetaminophen sulfate 28 28 0 0 0 0 0 0 0 0999 V2000 0.5541 3.2794 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0798 1.9664 -0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2723 0.8535 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 1.0142 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 -0.0653 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 0.1289 -0.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 0.1589 0.5670 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.6736 0.6546 1.8148 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4459 1.1617 0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0922 -1.3193 0.7834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -1.3050 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -1.4836 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 -0.4080 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -0.4684 -0.0779 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 -1.6722 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 -1.5588 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5572 -2.8192 -0.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 3.9574 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 3.5458 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 3.2779 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 2.0133 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6406 -2.0478 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -2.2013 -0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 -2.4907 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 0.4566 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 -1.5744 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 -2.4343 0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -0.6202 0.6393 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 2 0 7 9 2 0 7 10 1 0 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 13 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 14 25 1 0 16 26 1 0 16 27 1 0 16 28 1 0 M END