HMDB0031190 RDKit 3D S-Ethyl thioacetate 14 13 0 0 0 0 0 0 0 0999 V2000 -2.4694 -0.3471 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -0.3392 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3139 0.7065 0.7577 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 0.8099 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 0.1221 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 1.4924 1.5897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9581 -0.4344 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.1653 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 0.6053 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -1.3563 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6787 0.1031 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 0.6954 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 -0.0155 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 -0.8767 0.1290 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 2 0 1 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 2 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 M END