HMDB0254926 RDKit 3D N-(4-Acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide 66 69 0 0 0 0 0 0 0 0999 V2000 -8.9186 2.0065 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5527 2.6071 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9723 1.5352 -1.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7963 0.9072 -1.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 1.4670 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5321 2.5063 -2.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 0.9446 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 1.2679 -1.3901 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3039 0.4012 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 0.4372 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -0.5261 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -0.5203 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 0.4691 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 0.4386 -0.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 1.4038 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6347 1.0966 -0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 1.8764 -1.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9473 -0.0106 0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 -0.4090 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 0.2393 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 -0.2395 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7924 -1.3776 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1007 -1.8666 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 -1.1094 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2371 -2.9111 2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6342 -2.0410 1.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -1.5681 1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 1.4345 -1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 1.4207 -1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1384 -0.4900 -0.1843 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4205 -0.1920 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6134 -0.7243 -0.1677 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6577 -1.9083 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7404 -1.5965 2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 -2.9078 2.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7743 -0.2024 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8931 -0.7424 -0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7062 1.2393 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0478 1.7011 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4119 2.8300 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5348 2.9705 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9321 3.4977 -0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 2.0057 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7112 0.7393 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 2.1088 -1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 -1.2936 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 -1.2903 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 2.3810 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 1.4954 -2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -0.6004 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 1.1297 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5346 0.3297 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5915 -1.3863 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -0.0247 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1881 -1.3874 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7568 -2.9422 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5348 -2.1262 1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 2.2089 -1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 2.1804 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5466 -2.5377 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 -2.5337 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 -1.0458 2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6948 -1.0717 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4885 -3.6150 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1462 -2.6836 3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 -3.3954 2.9182 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 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 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 22 26 1 0 26 27 2 0 13 28 1 0 28 29 2 0 9 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 32 36 1 0 36 37 2 0 36 4 1 0 31 7 2 0 29 10 1 0 27 19 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 8 45 1 0 11 46 1 0 12 47 1 0 15 48 1 0 15 49 1 0 18 50 1 0 20 51 1 0 21 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 33 60 1 0 33 61 1 0 34 62 1 0 34 63 1 0 35 64 1 0 35 65 1 0 35 66 1 0 M END