HMDB0037620 RDKit 3D Ethyl 4-(methylthio)butyrate 24 23 0 0 0 0 0 0 0 0999 V2000 -3.5455 1.2185 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4032 -0.0609 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.3556 0.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -0.5620 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -0.4715 -1.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -0.8716 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -1.0582 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -1.3673 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 0.0850 1.0704 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 1.5445 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8403 1.9592 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 1.6234 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 1.0459 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 0.1137 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 -0.8885 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7097 -0.0038 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2903 -1.7252 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 -1.8757 -1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3701 -0.1424 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4735 -2.2305 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 -1.5250 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 1.8401 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 2.4086 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 1.2992 -1.0297 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 M END