HMDB0039227 RDKit 3D 3-Mercapto-3-methyl-1-butyl acetate 24 23 0 0 0 0 0 0 0 0999 V2000 4.4373 -0.0351 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 0.5509 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9156 1.8016 -0.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 -0.2239 -0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 0.3421 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 -0.7363 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7997 -0.2063 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 0.7393 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 -1.4084 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0172 0.5567 -1.8759 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 -0.2589 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0748 0.7414 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3837 -0.9225 0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.9580 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 1.0179 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -1.2707 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -1.4923 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 1.6124 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9182 0.2519 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 1.1911 1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 -1.0613 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6914 -1.9929 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -2.0280 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 1.8732 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 5 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 M END