HMDB0032397 RDKit 3D Methyl-delta-ionone 37 37 0 0 0 0 0 0 0 0999 V2000 4.8871 -0.3693 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -1.1108 1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 -0.8302 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1141 -1.0716 -1.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -0.2623 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6104 -0.0173 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 0.5482 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 -0.2978 -1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.1816 -2.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6377 -1.1089 -0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 -1.0762 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 -0.2128 1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 0.9411 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 1.7435 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 1.8830 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 0.6417 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -0.8773 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3734 -0.1420 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -0.8676 2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 -2.2080 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 -0.0483 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -0.2677 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 1.5111 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 0.3337 -2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 -0.4717 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 -1.8547 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 -1.7229 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 -1.8040 -1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4817 -1.7448 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5715 0.2682 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.7483 1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3981 1.6421 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 1.4133 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 2.8214 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 1.4968 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 2.1870 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 2.8652 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END