HMDB0040114 RDKit 3D 2-Octyl-4-propylthiazole 41 41 0 0 0 0 0 0 0 0999 V2000 -3.4314 -1.8384 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5648 -0.8490 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7343 -0.0050 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 0.7387 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 1.6267 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 2.4131 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 1.4850 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 2.2271 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 1.1274 0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 0.5342 -0.3199 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -0.4039 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 -1.1014 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 -2.0539 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -1.3566 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 -0.7112 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 0.3652 2.0184 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4605 -1.3295 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 -2.5428 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 -2.3598 0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -0.3021 -1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 -1.4223 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -0.6356 1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5192 0.7860 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 -0.0223 0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 1.2867 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8935 0.9577 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 2.3415 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 3.0516 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 3.0802 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 0.8227 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 0.9071 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 2.7962 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 2.7983 1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 -1.6323 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 -0.3539 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4757 -2.8788 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 -2.5394 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -1.2425 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -0.3264 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 -1.9711 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -1.4672 1.9243 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 12 13 1 0 13 14 1 0 11 15 2 0 15 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 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 M END