HMDB0040087 RDKit 3D 4-Butyl-2-ethyl-5-methylthiazole 29 29 0 0 0 0 0 0 0 0999 V2000 3.5168 -1.6320 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 -0.1671 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 0.2091 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.0490 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 0.3128 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -0.5500 -0.1677 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -0.1583 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 -0.9587 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 -1.2388 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3157 1.5492 -0.3616 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6607 1.6444 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 2.8546 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 -1.7296 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.2047 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -1.9910 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7261 0.4018 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2117 0.1002 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 1.2643 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -0.4477 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 0.5472 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 -1.1267 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -1.8600 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -0.3107 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -2.2795 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0116 -0.5803 1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -1.0594 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5224 3.6249 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 3.1931 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9531 2.6420 1.1188 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 2 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 11 5 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 M END