HMDB0036682 RDKit 3D Cascarilladiene 39 40 0 0 0 0 0 0 0 0999 V2000 -2.9245 2.6329 1.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 1.3836 1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 0.2139 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -1.0383 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 -0.8728 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 -1.1434 -1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 0.4413 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.4609 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 0.2876 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 0.7467 -1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 2.2181 -1.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 0.6193 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.1873 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 -1.8446 0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -3.1926 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 2.3470 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8006 3.3429 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 3.1038 2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 0.2058 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9213 -1.6534 1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7409 -1.6960 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8294 -1.7172 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -1.6749 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 -0.2008 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 2.4115 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 0.8182 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 0.2004 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 2.7650 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 2.5147 -2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 2.4233 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 -0.2501 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7374 1.5161 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 0.5918 -2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -1.6801 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3914 -1.3885 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -1.9238 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -3.3461 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9279 -3.4092 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -4.0261 0.8557 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 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 8 2 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END