HMDB0037393 RDKit 3D (3xi,7(11)Z)-7(11)-Copaene-4,12-diol 41 43 0 0 0 0 0 0 0 0999 V2000 2.2693 1.4800 -1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 0.4557 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 0.2685 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 1.5062 0.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -0.2390 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -1.2715 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 -1.3368 1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -1.0757 0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -1.5553 1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 -1.3901 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -1.2918 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3786 0.1384 -1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0838 0.7962 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0319 2.3147 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 0.5453 0.9067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.4019 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 -0.0341 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 1.0501 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 1.9797 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 2.2855 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 -0.4780 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 0.0986 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6378 1.8736 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -2.2870 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -1.0847 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -2.3468 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.5878 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 -1.7632 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1618 -0.8337 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 -2.5064 2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 -2.2365 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 -1.5633 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 -1.9930 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 0.1363 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 0.6962 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1531 2.6164 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 2.5641 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 2.8326 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9608 0.2653 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 1.0841 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.4853 -1.5060 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 2 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 16 17 1 0 17 5 1 0 16 8 1 0 17 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 M END