70213256 -OEChem-03182423132D 45 45 0 1 0 0 0 0 0999 V2000 10.0841 6.1371 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.5494 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2933 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8941 6.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6705 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4977 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 9.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0115 4.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6006 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5978 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5512 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3612 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7309 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0398 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0355 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1031 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7088 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7024 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7089 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4601 6.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4173 4.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 10.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 10.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 9.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 5.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 16 3 1 6 0 0 0 3 32 1 0 0 0 0 17 4 1 6 0 0 0 4 33 1 0 0 0 0 5 20 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 18 9 1 1 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 22 2 0 0 0 0 10 23 1 0 0 0 0 11 21 2 0 0 0 0 11 25 1 0 0 0 0 12 24 1 0 0 0 0 12 25 2 0 0 0 0 13 24 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 1 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 25 35 1 0 0 0 0 M END > 70213256 > 1 > 481 > 13 > 7 > 4 > AAADceBzuAIAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;ammonia > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate;ammonia > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;azane > [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;ammonia > InChI=1S/C10H14N5O7P.2H3N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);2*1H3/t4-,6-,7-,10-;;/m1../s1 > DGXWJGDBZBXMIT-IDIVVRGQSA-N > 381.11618300 > C10H20N7O7P > 381.28 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.N.N > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N.N.N > 188 > 381.11618300 > 0 > 25 > 4 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 10 22 8 10 23 8 11 21 8 11 25 8 12 24 8 12 25 8 19 20 5 21 23 8 23 24 8 16 3 6 17 4 6 18 9 5 9 21 8 9 22 8 $$$$