HMDB0041011 RDKit 3D beta-Cyclocitral 27 27 0 0 0 0 0 0 0 0999 V2000 2.6620 0.8375 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4353 0.0585 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2715 0.6901 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2538 2.1412 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8379 2.7314 0.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 0.0350 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 0.4662 0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 0.4496 -1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 -1.4738 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -1.8819 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -1.3851 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 0.1894 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 1.5521 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 1.4243 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 2.6856 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -0.3999 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 0.7429 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 1.3046 0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7494 0.5502 -2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 1.3887 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 -0.3566 -1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.9312 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 -1.8816 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 -1.4143 -1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 -2.9735 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 -1.9746 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 -1.5745 -0.7387 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 2 0 3 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 4 15 1 0 7 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 M END