HMDB0036855 RDKit 3D Cincassiol B 60 64 0 0 0 0 0 0 0 0999 V2000 -3.8052 2.8788 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 1.7501 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6466 0.5837 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.3851 1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 -0.8916 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -1.8010 -0.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5567 -1.6605 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7499 -2.6510 1.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -2.2663 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -1.2236 -1.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -1.7352 -2.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 -0.5399 -1.7488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 0.1033 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 1.2752 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0945 0.8572 -1.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.4471 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 1.7527 0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -0.5180 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -0.0472 2.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 -1.0398 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -0.5466 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -1.6925 -1.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 0.2632 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 0.7753 -1.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 1.4830 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 1.2857 1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 -0.0257 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 0.8637 -2.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 3.4853 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9508 3.5418 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8376 2.4988 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 2.1003 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2674 0.9350 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 0.0767 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 0.1614 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 -1.2320 1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -2.5629 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 -2.6291 2.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 -3.7125 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 -2.4929 2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 -3.0771 -0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 -2.7855 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -2.7003 -2.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 2.1366 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 1.4018 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 2.3612 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 -0.6227 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 -2.1818 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 -0.7921 1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -2.0883 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 -0.3825 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 0.8802 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 0.0899 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 1.8183 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 2.2825 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4449 1.9915 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 0.9874 2.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.3750 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 0.9321 -2.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 1.9092 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 21 27 1 0 27 28 1 0 14 2 1 0 27 16 1 0 13 5 1 0 18 7 1 0 27 10 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 6 37 1 0 8 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 14 44 1 0 15 45 1 0 17 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 24 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 28 58 1 0 28 59 1 0 28 60 1 0 M END