HMDB0006095 RDKit 3D 3-Methylsulfinylpropyl isothiocyanate 18 17 0 0 0 0 0 0 0 0999 V2000 -2.7260 1.5244 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -0.1405 -0.4817 S 0 0 0 0 0 4 0 0 0 0 0 0 -2.7167 -1.0834 0.5028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 -0.0196 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4073 -1.3539 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -1.0897 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1128 -0.4762 1.2416 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 0.5251 1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 1.7834 1.3431 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4124 1.6411 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 2.2958 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 1.7544 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 0.4178 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 0.6399 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 -1.8675 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -2.0378 0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.4443 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -2.0691 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 M END