HMDB0006409 RDKit 3D Tyramine-O-sulfate 25 25 0 0 0 0 0 0 0 0999 V2000 -4.4792 0.8730 0.3415 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 0.1375 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 1.0982 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 0.3758 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0998 -0.0595 1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -0.7319 1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 -0.9969 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 -1.6594 -0.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -0.9161 -0.1887 S 0 0 0 0 0 6 0 0 0 0 0 0 5.1828 -1.5642 0.9185 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1207 -1.1688 -1.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 0.7181 0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0075 -0.5780 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 0.0964 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 0.2623 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 1.5071 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 -0.5252 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 -0.4495 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 1.7247 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 1.8140 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 0.1700 2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -1.0463 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 1.2580 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 -0.7634 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 0.4242 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 7 13 1 0 13 14 2 0 14 4 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END