HMDB0251240 RDKit 3D Diethyl sulfate 19 18 0 0 0 0 0 0 0 0999 V2000 -3.3406 -1.0492 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 0.1156 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -0.0281 0.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 0.2880 -0.3939 S 0 0 0 0 0 6 0 0 0 0 0 0 0.7384 -0.9742 -0.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 1.2607 -1.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.9108 0.7788 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 1.0546 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -0.2570 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9717 -0.8013 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 -1.3548 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 -1.9267 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 1.0514 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 0.1837 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 1.8907 0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 1.3310 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 -0.0269 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 -0.7555 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -0.9127 1.1040 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 4 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 9 19 1 0 M END