HMDB0040094 RDKit 3D 4-Ethyl-2-heptyl-5-methylthiazole 38 38 0 0 0 0 0 0 0 0999 V2000 5.3846 0.5030 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 -0.9661 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 -1.5609 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 -0.8702 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -1.0128 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -0.3331 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -0.8829 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -0.0859 -0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -0.2819 0.1499 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 0.5474 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7171 0.3456 0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7923 -0.1928 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 1.6176 -0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2586 2.7118 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 1.3422 -1.4028 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 1.1512 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 0.8244 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6093 0.6796 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 -1.0866 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 -1.4936 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8061 -1.5325 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 -2.6235 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 -1.3219 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 0.2214 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -0.4217 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -2.0344 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 0.7535 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 -0.3889 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -1.9466 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -0.7178 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -0.3160 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0301 1.3240 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -0.5380 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5566 0.5996 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3581 -1.0008 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 3.2792 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 3.4425 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0916 2.2659 -1.6528 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 13 15 1 0 15 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 M END