HMDB0059904 RDKit 3D dehydro-beta-Ionone 32 32 0 0 0 0 0 0 0 0999 V2000 4.5160 -0.7995 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -0.9106 1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -1.6417 1.9642 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 -0.2039 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 0.0104 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 0.2656 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 1.1326 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 1.6371 -1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 1.6059 -1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 1.1930 -1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 0.2760 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -0.2797 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 -1.7916 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 -0.2599 1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9872 -1.7390 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 0.0015 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 -0.4851 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 0.4523 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 -0.9057 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 2.2827 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 0.8342 -2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 2.2926 -2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 2.3050 -2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8286 1.5684 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5572 -0.5383 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 0.8295 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 -2.2524 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 -1.7963 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -2.1962 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 0.6336 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 -0.3955 2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 -1.1249 2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 M END