HMDB0036112 RDKit 3D (1R,4S,5R)-4-Thujanol 29 30 0 0 0 0 0 0 0 0999 V2000 -0.9045 1.1815 1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -0.1678 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -0.2213 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -0.4036 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 0.5868 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 0.5167 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 0.1056 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3843 -0.7050 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 1.3190 0.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -0.7066 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -1.8033 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.0256 2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0566 1.6093 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 1.8640 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9606 -0.9878 1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 -0.2489 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 0.6629 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 -1.1158 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 0.2217 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 1.5767 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 1.5254 -2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 -0.2939 -2.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 -1.0855 -0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -1.5411 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 -0.1101 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 1.1598 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.7155 1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 -2.5304 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -2.1157 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 4 10 1 0 4 11 1 0 4 5 1 0 4 2 1 0 10 11 1 0 10 7 1 0 7 6 1 0 5 6 1 0 2 1 1 0 2 3 1 0 8 7 1 0 7 9 1 0 8 23 1 0 8 24 1 0 8 25 1 0 10 27 1 0 11 28 1 0 11 29 1 0 5 19 1 0 5 20 1 0 2 15 1 0 6 21 1 0 6 22 1 0 9 26 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 16 1 0 3 17 1 0 3 18 1 0 M END