HMDB0248790 RDKit 3D Methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-... 84 87 0 0 0 0 0 0 0 0999 V2000 10.1258 0.4045 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7516 -0.4328 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 -0.6526 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 0.6947 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1752 0.6225 0.1547 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -0.0090 1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 -0.6818 2.1612 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 -1.2799 3.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 -1.9633 4.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 -1.1889 2.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 -1.6496 3.4526 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -1.2747 2.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -1.5430 3.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7823 -0.5666 1.7145 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.0457 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 -0.8835 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 -0.1696 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 0.2948 -1.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -0.5955 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 -1.3931 -1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 -2.2913 -1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 -3.1766 -0.2347 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 -4.1574 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 -5.2792 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4342 -5.8018 0.7584 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 -4.8328 1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6516 -3.8219 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 1.6785 -0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 2.1800 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 2.0207 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5829 2.5197 1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3616 3.2028 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9094 3.3895 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6971 4.1158 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4659 5.5809 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 5.9861 -0.9343 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0727 6.4981 -2.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7742 7.8643 -2.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 2.8707 -1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 -0.5054 1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 0.0658 0.8783 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 0.1069 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 1.4834 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1769 0.2747 -1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0773 0.0667 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2563 -1.4232 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 -1.2898 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9453 -1.2308 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9393 1.2808 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8484 1.2209 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -2.1583 4.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 -2.2988 4.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6027 -2.2072 4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.2384 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 0.9904 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 -1.8364 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -1.1260 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 0.7476 -1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.7375 -2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -0.1695 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 -1.3675 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -2.0600 -2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -0.7081 -2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 -2.9123 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9445 -1.7142 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 -3.6675 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -4.5681 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -6.1030 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 -4.9529 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 -5.2723 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 -4.2443 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2485 -3.0801 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 -4.3960 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 2.1031 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2298 2.1862 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 1.4705 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9332 2.3763 2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3276 3.6007 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7714 3.9219 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 3.7547 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5801 8.3986 -3.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 7.9831 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6197 8.3912 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 3.0430 -2.2825 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 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 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 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 33 39 2 0 14 40 1 0 40 41 2 0 41 6 1 0 40 10 1 0 27 22 1 0 39 29 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 9 51 1 0 9 52 1 0 11 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 23 66 1 0 23 67 1 0 24 68 1 0 24 69 1 0 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 30 76 1 0 31 77 1 0 32 78 1 0 34 79 1 0 34 80 1 0 38 81 1 0 38 82 1 0 38 83 1 0 39 84 1 0 M END