HMDB0032354 RDKit 3D S-Isopropyl 3-methylbut-2-enethioate 24 23 0 0 0 0 0 0 0 0999 V2000 -2.8741 -0.3403 1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -0.3360 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 -0.6684 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -0.0370 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -0.0038 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 -0.2774 -2.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 0.3927 -1.6671 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 0.7620 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2526 -0.5130 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 1.2121 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1154 -0.7976 1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8291 -0.8803 1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 0.6970 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 -0.8602 -0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 -1.5867 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 0.1531 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3943 0.2005 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6404 1.5029 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -0.2944 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 -0.9668 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -1.2442 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 0.4835 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 1.1515 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 2.2507 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 M END