HMDB0036205 RDKit 3D alpha-Amylcinnamyl isovalerate 49 49 0 0 0 0 0 0 0 0999 V2000 -4.6757 -4.7114 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 -3.2627 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 -3.0855 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5363 -1.5963 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 -1.2506 -0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9766 0.2398 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8971 1.0580 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 2.5001 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 3.0519 1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0675 4.4286 1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 5.2360 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 4.6723 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 3.2850 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 0.8085 -0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 0.1656 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 0.4755 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 1.3403 -1.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 -0.2717 0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 0.1179 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 -0.7366 1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 -0.2084 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5481 -5.1089 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7335 -4.7535 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0808 -5.2630 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 -2.6259 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 -2.8385 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 -3.3648 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -3.6110 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2984 -1.0738 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -1.3322 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 -1.4635 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 -1.8008 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 0.5622 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 2.4425 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 4.8909 2.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 6.3128 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 5.2730 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 2.8452 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 1.8668 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 0.6637 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -1.3688 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 0.0278 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2131 1.1679 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -0.2625 2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 -1.7324 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.8308 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5115 0.6415 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -1.0670 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6619 -0.4529 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 13 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 7 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 21 49 1 0 M END