HMDB0037766 RDKit 3D 3-Mercaptohexyl hexanoate 39 38 0 0 0 0 0 0 0 0999 V2000 -5.9074 0.5535 -1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6396 0.6730 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2944 -0.7006 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 -0.6236 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 -0.1158 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 -0.1231 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 0.8199 1.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1351 -1.1688 0.9723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -1.2832 1.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -0.1261 1.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -0.0837 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -1.6443 0.0153 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 1.1060 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 1.2825 -1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 0.1256 -1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 0.5218 -2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4553 -0.3474 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5981 1.4249 -1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8533 1.3922 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 1.0892 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1126 -1.1021 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0896 -1.3930 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -1.5777 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2873 0.1217 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -0.7824 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 0.8957 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -1.3088 2.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 -2.2455 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -0.2898 2.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 0.8270 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8738 -0.0252 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -2.3405 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 2.0078 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 1.1022 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 1.5379 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 2.1874 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 -0.3360 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -0.5797 -2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8665 0.5293 -2.2987 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END