HMDB0032419 RDKit 3D 2-(4-Methyl-5-thiazolyl)ethyl decanoate 47 47 0 0 0 0 0 0 0 0999 V2000 -7.5363 0.1859 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1852 0.4341 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2751 0.9824 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 1.2691 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 0.0383 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 0.4878 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 -0.6385 1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -1.7556 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -1.2431 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -0.6636 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 0.5063 0.3034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 -1.3818 -0.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7206 -0.8609 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 0.3485 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 0.8136 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 2.1330 1.0932 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 1.9206 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7138 0.8506 0.4627 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7127 0.2716 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9109 -0.9597 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9248 1.2017 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3414 -0.4154 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2244 -0.3719 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3309 1.1018 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7791 -0.5675 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2198 0.2816 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7098 1.9473 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 1.6446 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9533 2.0290 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -0.6687 -0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 -0.3810 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 1.0083 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 1.2200 1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.2169 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 -1.0398 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 -2.2240 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -2.5045 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -0.4535 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -2.0294 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 -0.6591 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 -1.6669 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 1.1920 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 0.1066 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 2.5186 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -0.9208 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -1.8778 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9415 -0.9930 -1.4026 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 15 2 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 17 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 M END