HMDB0035704 RDKit 3D Acorenone 40 41 0 0 0 0 0 0 0 0999 V2000 3.6068 -1.3079 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 -0.5333 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1777 0.6487 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 1.3261 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0751 0.3444 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.7324 1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -1.0421 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 -1.7424 1.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.1848 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 2.3652 1.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 1.7115 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5192 1.3438 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.0728 -0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -1.0800 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 -2.3981 -0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 -1.2444 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 -1.8809 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -2.0718 -1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 -0.6600 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 1.0782 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 2.1892 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 1.7030 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 -1.6984 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 -0.3333 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 0.5920 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 2.0436 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 2.8759 2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1894 3.1138 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9398 1.3027 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 2.8251 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 1.0913 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 2.1298 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 0.1145 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 -0.9914 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 -3.0252 -1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 -3.0508 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -2.2437 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -0.6509 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 -1.0538 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -2.3159 -0.2151 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 7 8 2 0 5 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 7 2 1 0 13 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 M END