HMDB0242244 RDKit 3D (+)-alpha-Thujone 27 28 0 0 0 0 0 0 0 0999 V2000 3.1609 -0.9196 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 -0.1314 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1738 -0.8745 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4971 -1.8842 1.8335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 -0.0681 1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 0.4201 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6183 0.2317 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 1.0095 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -1.1787 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 1.6417 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 0.2554 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 -0.3224 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 -1.3484 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -1.7550 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 0.7595 0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.7988 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 -0.6889 1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 0.7046 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 0.9398 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 0.5916 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 2.0918 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 -1.1762 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -1.6295 -1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 -1.7608 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9033 2.3139 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 2.1383 -1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 -0.1590 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 6 10 1 0 10 11 1 0 11 2 1 0 11 6 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 5 16 1 0 5 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 M END