HMDB0038299 RDKit 3D Methylthiomethyl butyrate 21 20 0 0 0 0 0 0 0 0999 V2000 3.7308 0.3679 0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -0.1784 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 0.7399 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 0.0220 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -0.4323 -1.8662 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -0.1478 0.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 -0.8778 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 -0.2275 -1.1763 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 0.0206 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -0.3111 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 1.3973 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 0.2888 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 -0.2693 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 -1.1838 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 1.6681 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 0.7671 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 -1.9590 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -0.9510 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6015 -0.7284 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6144 1.0063 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3285 -0.3202 -1.0483 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 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 7 17 1 0 7 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 M END