HMDB0032201 RDKit 3D cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline 31 31 0 0 0 0 0 0 0 0999 V2000 -3.9295 -0.9230 -0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5687 -0.3150 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 -0.5909 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 -0.0170 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -0.0043 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 0.6131 -0.7509 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 1.0985 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3061 2.5929 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 0.4420 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 -0.7955 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -1.4870 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -0.0797 1.4718 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -1.3382 -1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 -0.1174 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9965 -1.7438 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9686 -0.8108 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 0.7656 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 -1.6725 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 -0.7070 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 0.1393 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 0.9376 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9251 1.0815 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 3.1655 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 2.6229 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 2.9049 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 1.1249 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 -0.4271 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -1.4675 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 -2.0097 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -0.7348 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -2.2476 1.3735 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 5 1 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 4 19 1 0 4 20 1 0 4 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 M END