HMDB0039522 RDKit 3D Linalyl acetate 34 33 0 0 0 0 0 0 0 0999 V2000 -1.8147 -0.9770 2.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 -0.9829 1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6374 -0.3165 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -1.1853 -1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.1785 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5812 -1.4365 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -1.3151 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8732 -0.3370 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 -0.6666 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 1.0599 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3148 0.9005 -0.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 1.8192 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 3.1198 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2133 1.5574 -2.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -1.5012 3.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 -0.4475 2.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -1.5358 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -0.8946 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 -2.2431 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0184 -1.2069 -1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 0.4167 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.4314 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 -1.9659 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 -2.1616 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -2.3151 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -1.0674 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 0.2074 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -1.4723 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 1.2576 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 1.6620 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 1.5751 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 2.9521 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8886 3.4211 -2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3008 3.8265 -0.5819 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 1 0 12 14 2 0 1 15 1 0 1 16 1 0 2 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 M END