HMDB0240694 RDKit 3D Methylpyrogallol sulfate 3 22 22 0 0 0 0 0 0 0 0999 V2000 -1.0317 2.5032 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 1.4735 0.7155 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 0.1823 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5198 -0.6158 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 -0.1196 1.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7134 -1.9075 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -2.3872 -0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -1.6139 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2923 -0.3464 -0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 0.4589 -1.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 0.3717 -0.4249 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2922 -1.0668 -0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 1.3032 -1.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 0.7469 1.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 2.5549 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 3.4565 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 2.1232 -0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 0.8192 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -2.5406 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9739 -3.3936 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8095 -1.9568 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 -0.0453 1.7852 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 14 22 1 0 M END