HMDB0040095 RDKit 3D 5-Ethyl-4-methyl-2-octylthiazole 41 41 0 0 0 0 0 0 0 0999 V2000 4.3853 2.0528 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 0.7737 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 -0.3352 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -0.8884 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 -0.0343 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 -0.8202 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7878 -1.4009 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 -2.1773 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 -1.3011 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 -1.6396 -0.7502 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 -0.7375 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3614 -1.0851 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5052 0.5555 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 1.8088 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8369 1.9926 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 0.4068 -0.3988 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 2.9141 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 2.2328 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 2.0367 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 0.5022 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 1.0294 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -1.1779 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -0.0308 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 -1.7658 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -1.3747 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.8102 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 0.4141 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 -1.6247 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 -0.1601 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -2.1625 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 -0.6491 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.5283 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 -3.0713 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8729 -0.3078 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 -2.0417 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 -1.1991 0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 1.9628 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 2.6541 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 3.0913 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7957 1.4648 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1268 1.8106 1.9531 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 M END