HMDB0037066 RDKit 3D beta-Caryophyllene alcohol 42 44 0 0 0 0 0 0 0 0999 V2000 -2.6265 0.5254 1.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 0.4970 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8099 0.0715 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 -1.3067 -1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 -1.8065 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 -0.7719 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 0.3342 -1.7415 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 -0.6815 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -0.6977 -0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -1.2710 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 0.1157 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 0.2774 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.4927 1.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 0.7200 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 1.4769 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0176 1.6653 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 0.9733 2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 1.2145 1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8728 -0.4979 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 0.8633 -1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 0.0584 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 -1.3458 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 -2.0661 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0811 -2.7773 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -1.9795 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 0.0502 -2.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6023 -1.5439 0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -0.5673 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 -0.9535 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 -1.7057 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -1.9621 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 -0.4973 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8099 0.2936 -1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 1.2511 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 1.5974 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 0.1687 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8138 -0.0309 2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 1.2808 -1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 1.2768 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 2.5522 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 2.3869 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 2.3196 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 8 2 1 0 14 9 1 0 16 2 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END