HMDB0240693 RDKit 3D 2-(3,5-Dihydroxyphenyl)ethanol sulfate 25 25 0 0 0 0 0 0 0 0999 V2000 3.2960 -1.6427 -1.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 -0.8280 -0.4624 S 0 0 0 0 0 6 0 0 0 0 0 0 4.2365 0.4473 -0.9304 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 -1.6890 0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -0.6678 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 0.0766 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 1.4086 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 2.1344 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 3.4703 0.8674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 1.4829 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0295 0.1612 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -0.4438 -1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -1.0767 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -2.0830 0.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -0.5179 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6918 -1.7512 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 1.8971 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 3.7118 1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 2.0927 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.3709 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8418 -1.1183 -1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 -0.3427 0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 -1.5189 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7436 -1.9943 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -1.5793 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 15 2 0 15 6 1 0 4 16 1 0 7 17 1 0 9 18 1 0 10 19 1 0 12 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 14 24 1 0 15 25 1 0 M END