HMDB0032427 RDKit 3D (S)-3-Methylthiohexyl acetate 30 29 0 0 0 0 0 0 0 0999 V2000 -3.1872 2.5256 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 1.1988 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 1.0771 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 -0.2836 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5367 -0.4935 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -0.4075 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 -0.6164 -0.5742 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 0.2678 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 0.0546 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 1.2670 0.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -1.5560 -0.6845 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -3.1883 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 2.4805 -1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 2.7618 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 3.3564 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2024 0.3867 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1808 1.1449 0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 1.9000 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 1.0625 -1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 -0.3195 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.5234 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 0.1959 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 -1.2023 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 0.5794 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 0.2753 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 -1.0157 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 0.7012 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2632 -3.6441 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -3.8922 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -3.0931 0.7565 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 7 8 1 0 8 9 1 0 8 10 2 0 4 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END