HMDB0036097 RDKit 3D Rose oxide 29 29 0 0 0 0 0 0 0 0999 V2000 3.4019 -1.1108 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -0.1825 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 1.2774 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 -0.6867 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 0.1541 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 0.8091 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 0.5475 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 1.2543 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 -0.9582 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 -1.4920 1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 -0.5289 1.7207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 -1.1070 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3886 -0.7014 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -2.1483 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 1.4601 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 1.6937 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 1.8034 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -1.7592 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.0067 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 0.2415 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 1.8746 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 0.8743 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 0.7824 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1192 1.4199 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0863 2.2848 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -1.2977 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -1.3209 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -2.4169 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -1.7732 1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 M END