HMDB0032380 RDKit 3D (S1)-Methoxy-3-heptanethiol 28 27 0 0 0 0 0 0 0 0999 V2000 -4.4423 0.3488 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0578 -0.1679 0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0245 0.4205 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 -0.1540 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 0.3216 -0.6806 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2879 -0.0558 -2.4186 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -0.2866 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 0.1227 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.4219 -0.3008 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.0842 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 1.4180 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 0.1430 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1403 -0.1974 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -1.2601 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7702 0.1304 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 0.0594 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 1.5141 -0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 0.1289 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7641 -1.2528 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 1.4250 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -0.1145 -2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -1.3834 -0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7741 0.0568 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 1.2237 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -0.2778 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -0.3587 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2948 -0.6198 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 0.9967 1.1298 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 6 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 M END