HMDB0038945 RDKit 3D (S)-3-Mercaptohexyl pentanoate 36 35 0 0 0 0 0 0 0 0999 V2000 4.7911 1.6578 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.1989 1.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 -0.0019 1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 0.4248 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 -0.6731 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 -1.7865 0.1578 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 -0.5356 -1.3874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.5298 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -2.0674 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2674 -1.0330 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2765 -1.8286 1.1516 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1273 -0.2995 -1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9902 0.7367 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 1.7656 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 2.2981 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 0.7596 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 2.2983 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 0.9743 2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3997 2.0580 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -0.7862 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 -0.2772 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 1.3026 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 0.6894 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 -1.1190 -2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 -2.4225 -2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -2.8586 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -2.5457 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 -0.2788 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -3.1166 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 0.2409 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 -0.9606 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 1.3081 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 0.2856 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 2.8020 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 1.6265 1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 1.6935 -0.0407 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END