HMDB0037811 RDKit 3D Vetiverol 40 41 0 0 0 0 0 0 0 0999 V2000 0.2366 -0.4494 2.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0473 -0.2949 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 -0.8619 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -0.8031 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 -2.0708 -0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -0.1444 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 1.0046 -0.6827 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3937 1.8336 -1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 0.4581 0.0492 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3402 1.6069 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4996 1.5021 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 0.0269 -0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -0.6562 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0848 0.0616 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8192 -2.1229 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -0.4956 -0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -1.3821 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 0.3756 3.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -0.5630 2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -1.4083 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 -0.2050 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3349 -1.8939 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -0.8454 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 0.2938 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 1.6152 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 1.2621 -2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 2.0631 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9535 2.8208 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 2.5851 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 1.5110 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 1.8933 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4146 1.9801 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 0.8089 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 -0.6223 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2188 0.6164 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -2.3898 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 -2.5511 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 -2.5602 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 -0.4693 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 -1.5297 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 12 16 1 0 9 2 1 1 16 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 1 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END