HMDB0035706 RDKit 3D alpha-Cyclocitral 27 27 0 0 0 0 0 0 0 0999 V2000 2.6828 -0.0182 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 0.5377 0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 1.7569 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4357 2.1928 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 1.0939 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.2592 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 -0.9273 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -1.0889 -1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3045 -0.2516 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -1.6150 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -2.1956 2.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 -0.7495 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 -0.4574 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 0.7890 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 2.3626 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 3.1395 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 2.2709 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 1.1980 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3675 1.3129 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -0.7813 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -2.0416 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 -0.5758 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 -0.9103 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -2.1489 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -0.7905 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 0.2722 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 -2.1153 0.4183 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 6 9 1 0 9 10 1 0 10 11 2 0 9 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 M END