HMDB0032421 RDKit 3D 2-(4-Methyl-5-thiazolyl)ethyl hexanoate 35 35 0 0 0 0 0 0 0 0999 V2000 4.7191 1.6275 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 0.6781 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 -0.6839 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 -1.8496 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.9978 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -1.0219 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 -0.1559 1.4482 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -1.0194 0.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -0.1021 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 -0.3533 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 0.6663 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 1.9719 1.4070 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8571 2.5779 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5181 1.7513 0.6781 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8767 0.7754 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5976 -0.1974 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 1.4620 -1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7109 1.3519 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 2.6425 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 1.0068 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7148 0.9276 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2362 -0.8217 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -0.8068 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -2.7976 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 -1.9227 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7037 -3.0551 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 -1.9746 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.1249 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8965 0.9341 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 -0.2523 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 -1.3836 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 3.4351 2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -0.2580 -1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6315 0.1324 -1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6305 -1.1621 -0.2733 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 11 2 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 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 13 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 M END