HMDB0032346 RDKit 3D (+/-)-Isobutyl 3-methylthiobutyrate 30 29 0 0 0 0 0 0 0 0999 V2000 -3.6260 2.3719 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1608 0.9040 -0.8336 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7612 -0.4959 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3879 -1.6602 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.1994 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 0.1650 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 0.1881 -0.7552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 0.4789 1.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 0.8280 0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -0.2383 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 0.2568 -0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -1.5329 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 2.2105 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 3.1284 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 2.8505 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6369 -0.8317 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 -2.2837 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6806 -2.3485 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -1.2939 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 0.6911 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5244 -1.0668 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 1.7628 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 1.0044 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -0.4608 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -0.1084 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8623 1.3742 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7221 -0.0915 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5006 -2.1250 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -1.3516 1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8578 -2.1260 0.5107 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END