HMDB0031832 RDKit 3D Methyl methanethiosulfonate 12 11 0 0 0 0 0 0 0 0999 V2000 2.2617 -0.3780 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -0.9877 0.4170 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 0.3546 0.6192 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.8590 -0.0100 -0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 -0.0045 1.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 1.8038 0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -0.2523 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 0.6647 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -0.9717 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 0.7868 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 -0.0528 -1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -0.9530 -0.5329 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 3 5 2 0 3 6 2 0 1 7 1 0 1 8 1 0 1 9 1 0 4 10 1 0 4 11 1 0 4 12 1 0 M END