HMDB0036113 RDKit 3D (+)-3-Thujone 27 28 0 0 0 0 0 0 0 0999 V2000 -2.7117 -0.7712 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 0.3524 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 1.5780 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -0.1594 -0.2198 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1512 -1.2887 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 -1.2626 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 -2.1773 0.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 0.1662 0.2656 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3050 0.3623 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 0.6314 -0.6062 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1918 -0.2374 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 -0.3858 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 -1.0835 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 -1.6320 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 0.6020 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9379 1.3688 -1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 2.3605 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 2.0854 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 -1.0093 1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 -2.2394 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8499 0.7275 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 0.7019 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 1.1415 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -0.6115 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 1.7111 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -1.1745 -1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 0.2434 -2.4584 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 1 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