HMDB0033373 RDKit 3D 2-Ethyl-1-hexanol sulfate 31 30 0 0 0 0 0 0 0 0999 V2000 3.2022 -2.2121 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 -1.5219 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -0.0717 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 0.8634 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 0.9663 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 2.1054 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 3.4191 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1166 -0.2404 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 -0.0884 -0.6338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -1.3599 -0.3440 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.7710 -0.9269 -0.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 -1.8478 1.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -2.5956 -1.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -3.2490 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -2.1575 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 -1.6666 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -2.0367 0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -1.7239 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 0.0066 0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 0.2377 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 1.8884 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 0.5874 1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 1.0895 -1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 1.7913 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 2.1227 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 3.4907 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 3.6639 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 4.2138 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.1107 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 -1.1719 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 -3.4653 -1.0934 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 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 1 14 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 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 13 31 1 0 M END