HMDB0030431 RDKit 3D Linalyl benzoate 41 41 0 0 0 0 0 0 0 0999 V2000 -0.9649 -2.0242 -2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -1.0688 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -0.6465 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 -1.8650 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9147 0.5667 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 0.7681 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -0.1986 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 0.1748 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 1.5956 1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2267 -0.8455 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 -0.4848 0.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 0.3790 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7876 1.0732 -1.4421 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4556 0.5395 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9252 -0.1623 1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 0.0362 1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0507 0.9377 0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5947 1.6422 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3022 1.4341 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 -2.4991 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1991 -2.4059 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4395 -0.6726 -2.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -1.5675 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 -2.4890 0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -2.5743 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 0.7372 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 1.4554 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 0.8692 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 1.7870 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -1.2419 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 1.7256 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 2.0017 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 2.2548 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8555 -1.8748 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 -0.7895 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3097 -0.7059 2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -0.8671 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -0.4989 2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0838 1.1255 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2212 2.3560 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 2.0226 -1.3961 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 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 14 1 0 1 20 1 0 1 21 1 0 2 22 1 0 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 9 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 10 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END