HMDB0030421 RDKit 3D L-Linalool 3-[xylosyl-(1->6)-glucoside] 67 68 0 0 0 0 0 0 0 0999 V2000 -3.3898 -3.0960 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 -2.5804 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 -1.1295 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -0.7400 1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 -0.4287 -0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3098 -0.8071 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6078 -0.6086 1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5176 0.2966 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8445 0.5242 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2111 1.0924 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 -0.6908 -0.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 -1.2948 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -0.2894 0.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6392 -0.4026 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 0.8915 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 0.8862 0.4384 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 2.0958 0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 1.8704 1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3516 1.8185 1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 1.1399 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 1.0505 0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.9237 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 1.1061 -1.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 2.7471 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 3.9961 0.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -0.6144 -1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 -1.6600 -1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 -1.0153 -2.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 -1.5021 -3.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -2.0605 -1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -2.9568 -0.9018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -2.5022 -1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4187 -4.1865 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 -3.2696 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 -1.6115 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 0.1055 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5405 -0.5489 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 0.7080 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -0.5484 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0233 -0.1357 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -1.8487 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -1.1710 2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9173 0.2674 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2128 -0.1128 3.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7006 1.5911 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9145 1.8141 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4873 1.6923 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8359 0.4770 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -2.0068 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0311 -1.2057 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 1.7609 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 1.1286 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 2.7567 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8706 2.7942 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 1.1612 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 0.1151 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2784 1.8553 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7585 2.6332 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 0.2714 -1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 2.8378 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 4.7063 -0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5211 0.2675 -1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 -1.9825 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 -0.1431 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 -1.1613 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 -2.5446 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 -3.5262 -0.1667 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 14 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 12 1 0 24 17 1 0 1 32 1 0 1 33 1 0 2 34 1 0 4 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 9 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 10 48 1 0 12 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 17 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 25 61 1 0 26 62 1 0 27 63 1 0 28 64 1 0 29 65 1 0 30 66 1 0 31 67 1 0 M END