HMDB0037216 RDKit 3D Linalyl phenylacetate 44 44 0 0 0 0 0 0 0 0999 V2000 -0.9741 1.3311 -3.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 0.6331 -2.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4434 0.3585 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8429 1.7305 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -0.6330 -1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -1.1021 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -0.0394 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 -0.0653 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 1.0348 2.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 -1.2009 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 -0.0843 -0.6408 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -1.1818 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -1.7787 -2.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6122 -1.7492 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 -0.7892 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -0.7567 1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0963 0.1170 2.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9627 0.9857 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0884 0.9863 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3131 0.0806 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6754 1.7397 -2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 1.5039 -4.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7797 0.2531 -3.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 1.8597 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 2.5170 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3902 1.9717 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 -0.1769 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -1.5336 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 -1.9642 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 -1.5191 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 0.8157 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 1.7992 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 0.6189 2.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 1.4586 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -2.0584 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 -1.5100 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -0.9385 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 -2.6095 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -2.2840 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -1.4291 2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0654 0.1868 3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 1.6918 2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7705 1.6694 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3928 0.0609 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 3 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 21 1 0 1 22 1 0 2 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 M END