HMDB0036821 RDKit 3D 3-Hydroxy-beta-ionone 35 35 0 0 0 0 0 0 0 0999 V2000 4.5551 -0.9805 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 0.0823 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 1.2748 -0.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 -0.2656 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 0.6827 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 0.4899 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.5365 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 2.8854 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 1.4762 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 0.2371 -0.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6874 0.3928 -1.4957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 -0.9246 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 -0.9038 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 -1.6212 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 -1.7075 1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4927 -1.3566 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -1.7990 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 -0.6048 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -1.2845 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 1.7257 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 3.6438 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 3.0629 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 3.0108 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 2.4096 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.5094 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 0.1333 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4881 0.8607 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 -1.8957 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4048 -0.8832 1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -2.5962 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1041 -0.9724 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -1.8485 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -1.1161 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 -2.6941 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 -1.9597 2.0914 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 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 6 11 27 1 0 12 28 1 0 12 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END