HMDB0041576 RDKit 3D beta-Cadinene 39 40 0 0 0 0 0 0 0 0999 V2000 -2.1968 -3.3674 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 -1.9492 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -1.0885 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 0.3338 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 0.6268 -0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0137 2.0789 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 2.9595 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 2.5400 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 1.6950 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 0.2407 -0.4607 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3662 -0.5598 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8309 -0.3199 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 -0.2994 -1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -0.1528 0.3089 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3879 -1.6054 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -4.0116 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 -3.7476 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8278 -3.4640 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 -1.3942 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 1.0225 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 0.4785 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.2438 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 3.9983 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 2.5839 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 2.9422 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 3.6168 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 1.9796 0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0132 2.0097 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9477 0.0018 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1345 -1.6597 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 -1.1080 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 -0.3976 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 0.6554 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 -0.3317 -2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -1.1221 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0615 0.6392 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 0.1285 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 -2.0799 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -2.1161 1.1780 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 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 1 0 15 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 5 22 1 6 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 6 11 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 1 15 38 1 0 15 39 1 0 M END