HMDB0031191 RDKit 3D S-Methyl butanethioate 17 16 0 0 0 0 0 0 0 0999 V2000 -2.3883 0.4384 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 -0.8247 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 -0.5579 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 0.4776 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 0.9637 -1.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 1.0521 -0.8779 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 0.2585 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8024 0.8522 -0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2567 0.2743 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 1.2245 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -1.6951 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 -1.0719 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4007 -1.5283 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 -0.2390 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 1.0485 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.5636 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 -0.1093 -0.0523 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 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 M END