HMDB0036810 RDKit 3D 8alpha,13R-Epoxy-14-labden-19-oic acid 55 57 0 0 0 0 0 0 0 0999 V2000 3.5635 2.6730 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 1.7317 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8284 0.3205 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 0.0619 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 -0.6250 -1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 -1.4120 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4387 -1.2198 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -0.8154 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -1.9742 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 -0.7608 1.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 0.4504 1.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 0.6601 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 0.8833 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2326 1.5556 -0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9644 1.8935 1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 2.5287 1.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 2.1531 1.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 -0.3692 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 -1.5870 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -1.3551 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -0.4086 -0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 0.3243 -2.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 0.3590 0.6432 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 3.6668 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 2.4991 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 1.9316 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9392 0.7030 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 -0.9798 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 0.3462 1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 -1.2701 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.0623 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7785 -2.5009 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9558 -1.2840 -2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 -2.2584 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -2.7571 1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 -2.4706 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7721 -1.7148 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 -1.7160 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 -0.6152 2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.3108 2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5898 0.3649 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7659 1.6492 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 2.5288 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 1.8388 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 0.9478 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5034 1.8766 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4101 -0.5369 1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 -0.2140 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -2.3017 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -2.1882 -0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 -2.3846 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.1503 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 -0.2602 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 1.2673 -2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6149 0.6659 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 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 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 8 23 1 0 23 3 1 0 21 7 1 0 21 12 1 0 1 24 1 0 1 25 1 0 2 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 9 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 14 43 1 0 14 44 1 0 14 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 M END