HMDB0032259 RDKit 3D Ethyl 4-(acetylthio)butyrate 26 25 0 0 0 0 0 0 0 0999 V2000 -5.2343 0.2875 0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -0.2739 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 0.3902 0.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 0.1760 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.6918 -0.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4187 0.8496 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 0.4460 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2991 -0.9773 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -1.1622 -0.5296 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1593 -0.2195 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5877 -0.2059 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8032 0.4221 1.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0624 1.3680 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 0.2476 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4693 -0.2469 1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 -0.1272 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9853 -1.3684 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 1.9750 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 0.7012 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 0.7493 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 1.0911 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 -1.2707 1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 -1.6327 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -0.9455 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 -0.3816 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 0.8001 -0.4454 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 10 11 1 0 10 12 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 11 24 1 0 11 25 1 0 11 26 1 0 M END