HMDB0036565 RDKit 3D beta-Ionone 34 34 0 0 0 0 0 0 0 0999 V2000 4.5568 -1.3701 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 -0.2726 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 0.8339 -0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -0.5523 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3102 0.3776 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 0.3636 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 1.5231 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 2.6730 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 1.7285 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9803 0.4726 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 -0.7060 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -0.7544 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 -2.1350 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 -0.5319 1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 -2.3411 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 -1.3193 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8735 -1.2423 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -1.4956 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 1.3420 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 3.5918 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 2.9536 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 2.5358 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 2.3324 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 2.3972 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 0.3093 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7568 0.5447 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -1.6167 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -0.5196 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 -2.8069 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 -2.4173 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -2.4277 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.9172 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 -1.0902 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9272 0.5370 1.7494 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 1 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 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END