HMDB0036114 RDKit 3D (-)-3-Thujone 27 28 0 0 0 0 0 0 0 0999 V2000 2.3658 1.1466 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6866 0.3753 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 -0.9348 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 0.1718 0.0161 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5967 1.4044 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8789 1.2087 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 2.0825 -0.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 -0.2307 -0.8939 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8632 -0.8959 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.7758 -0.7189 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2340 -1.0376 0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 0.8099 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 1.0920 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 2.2393 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 0.9787 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -1.2625 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3056 -0.8016 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 -1.7003 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 2.2473 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 1.7495 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 -0.3638 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8925 -1.0755 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -0.2805 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 -1.8772 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -1.4462 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -1.9302 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 -0.8934 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 2 1 6 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 4 1 0 11 4 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 8 21 1 6 9 22 1 0 9 23 1 0 9 24 1 0 10 25 1 6 11 26 1 0 11 27 1 0 M END