HMDB0037133 RDKit 3D Linaloyl oxide 29 29 0 0 0 0 0 0 0 0999 V2000 2.4726 0.3967 1.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -0.3349 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 0.0065 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 1.2524 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 -1.1128 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 -1.4963 -1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3248 -0.3067 -1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 0.1713 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 1.5660 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -0.7443 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0492 0.1694 0.7891 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.2155 2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3072 0.2144 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 -1.1231 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 0.8976 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 1.9326 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6988 1.7794 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 -2.0430 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 -0.8481 -1.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 -2.3580 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 -1.8104 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 0.4491 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 -0.7003 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 1.6684 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9991 1.6341 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 2.3641 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1341 -0.3841 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.7836 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -0.6716 2.1847 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 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 3 1 0 1 12 1 0 1 13 1 0 2 14 1 0 4 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 M END