HMDB0059883 RDKit 3D alpha-Ionone 34 34 0 0 0 0 0 0 0 0999 V2000 3.9890 0.3509 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 -0.3306 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2279 -0.7384 1.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 -0.5357 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1401 -0.1371 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 -0.3563 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 -1.3757 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0567 -2.4401 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 -1.3479 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 -0.3106 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 0.5144 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 0.9276 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 1.7154 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 1.7587 1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0895 0.1402 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 0.0193 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8383 1.4537 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 -1.0400 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 0.3668 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.7997 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 -3.4622 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 -2.3981 -2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0537 -2.3688 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 -2.0986 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -0.8212 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2206 0.3631 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1929 1.3920 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 -0.1052 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9783 2.2387 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8174 1.1107 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2262 2.5001 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 1.2041 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 2.7623 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 1.8481 1.2877 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 1 0 7 8 1 0 7 9 2 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 6 20 1 0 8 21 1 0 8 22 1 0 8 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