HMDB0037031 RDKit 3D Epicubenol 42 43 0 0 0 0 0 0 0 0999 V2000 0.8597 3.8726 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 2.3725 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 1.6194 -0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.1551 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1397 -0.5472 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 -0.2569 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5741 1.1939 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -1.0389 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -2.0297 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 -2.5075 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.7972 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2673 -2.1758 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 -0.2939 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 -0.0456 1.7421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3934 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 1.8765 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 4.0039 -1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0573 4.2006 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 4.3929 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 2.1040 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -0.1847 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5323 -0.2649 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 -0.5375 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 1.5619 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 1.3106 0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 1.8463 0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 -0.7990 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 -2.1194 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 -0.7569 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 -2.6697 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1044 -2.1127 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -3.5906 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -2.3992 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 -2.0257 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -2.1925 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 -3.2016 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 -1.4899 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 -0.6494 2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 0.0436 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 0.1094 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 2.3327 1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 2.2972 0.0842 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 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 2 1 0 13 4 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 12 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