HMDB0036115 RDKit 3D (-)-3-Isothujone 27 28 0 0 0 0 0 0 0 0999 V2000 -2.3643 1.0792 0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 -0.2085 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 -1.2727 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2908 -0.1807 -0.2924 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4685 -1.4840 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -1.1572 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5297 -1.8721 0.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 0.2177 -0.2361 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1368 0.9290 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 0.8507 -0.1054 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0793 0.8149 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7356 1.9808 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0596 1.0767 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 1.1774 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -0.5626 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -2.0738 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 -0.7646 -1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -1.6903 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 -1.9295 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -2.2025 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 0.1496 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 0.3603 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7844 1.9310 0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 1.1120 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 1.6419 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 0.4795 -2.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 1.5976 -1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 2 1 1 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 1 11 26 1 0 11 27 1 0 M END