HMDB0038948 RDKit 3D 3-Mercaptohexyl butyrate 33 32 0 0 0 0 0 0 0 0999 V2000 4.9626 0.6709 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -0.6163 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 -0.5032 -1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 -0.0903 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 1.1005 -0.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 -1.0664 0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 -0.8267 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 -0.2116 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 0.0165 1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -1.5462 1.9235 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 0.7164 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 0.0294 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8731 0.9266 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7862 1.2375 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2879 0.4130 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 1.3469 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 -0.9835 -1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3928 -1.4048 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6212 0.2308 -2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 -1.5118 -1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -0.2384 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -1.8252 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0869 -1.0117 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 0.6900 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 0.6669 1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 -1.2510 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 1.7888 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 0.7886 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -0.1617 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1637 -0.9064 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6938 1.3909 -1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0159 1.7703 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 0.3711 -0.8988 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 M END