HMDB0038920 RDKit 3D (S)-3-Mercaptohexyl acetate 27 26 0 0 0 0 0 0 0 0999 V2000 -1.5285 1.7610 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 0.4061 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -0.4666 -0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -0.8134 -1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7715 -1.8895 -2.6182 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 -1.6138 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -1.0554 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 0.1987 1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 0.4434 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 1.8405 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -0.4822 -0.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 1.9215 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 1.8907 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 2.6028 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1299 -0.0513 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 0.6578 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -1.4111 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 0.0142 -1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.0830 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -3.2215 -2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 -1.7994 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 -2.6647 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 -1.8088 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 -0.9981 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 2.5597 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9253 1.8197 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 2.0767 -0.6802 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 M END