HMDB0035587 RDKit 3D Pandamarilactonine A 46 48 0 0 0 0 0 0 0 0999 V2000 7.5362 0.6616 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 0.4297 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 0.9564 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 0.4577 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 0.7518 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 0.1698 1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6047 -0.6366 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 0.2721 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 -0.3022 -0.8371 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8728 -1.2664 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2596 -1.7471 -2.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1901 -1.4048 -1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.9903 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -0.0728 0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5568 1.0130 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8247 0.9788 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8727 1.9078 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0144 -0.1345 1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0752 -0.5211 2.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7943 -0.7598 1.7154 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 -0.4057 1.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 -0.4390 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7504 -1.1208 1.8006 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2058 -0.2013 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4335 0.9268 -1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 1.5327 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 1.6525 -1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4454 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 1.0397 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 -0.3726 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -1.4653 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 -1.0288 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5347 1.1197 0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5701 0.7122 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 -2.1429 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.8973 -2.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 -1.1496 -3.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -2.8142 -2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 -0.4751 -1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8181 -2.2479 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 -1.8649 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 0.2860 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 1.7528 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5183 2.5820 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1697 2.5290 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7127 1.2833 -0.2456 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 4 21 1 0 21 22 1 0 22 23 2 0 22 2 1 0 13 9 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 M END