71270461 -OEChem-03192407362D 35 36 0 1 0 0 0 0 0999 V2000 4.4775 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 9.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 4.8753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5259 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5287 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4792 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 5.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8891 9.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 9.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 11 2 1 6 0 0 0 2 27 1 0 0 0 0 13 3 1 6 0 0 0 3 28 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 12 6 1 1 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 19 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 1 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 20 31 1 0 0 0 0 M END > 71270461 > 1 > 335 > 9 > 5 > 2 > AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;hydrate > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate > (2R,3R,4S,5R)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol;hydrate > InChI=1S/C10H13N5O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2/t4-,6-,7-,10-;/m1./s1 > ZTHWFVSEMLMLKT-MCDZGGTQSA-N > 285.10731860 > C10H15N5O5 > 285.26 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N.O > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O > 141 > 285.10731860 > 0 > 20 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 15 5 16 18 8 18 19 8 11 2 6 13 3 6 12 6 5 6 16 8 6 17 8 7 17 8 7 18 8 8 16 8 8 20 8 9 19 8 9 20 8 $$$$