21145475 -OEChem-03282419322D 57 56 0 1 0 0 0 0 0999 V2000 3.3521 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 3.2790 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 7.5465 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 8.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 9.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 9.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9718 3.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2398 2.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6058 4.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9718 8.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2398 7.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6058 8.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6058 2.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6058 6.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 7.3823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 10.9024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 5.7728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.5776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.5775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 9.9508 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9395 9.1428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5259 8.3328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4792 9.6402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 10.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 6.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 10.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 9.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 7.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 9.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 10.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 10.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 11.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 11.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 9.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 6.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 10.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 4.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 3.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 3.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 4.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 7.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 7.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 8.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 16 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 17 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 18 2 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 26 5 1 6 0 0 0 5 43 1 0 0 0 0 6 29 1 0 0 0 0 6 45 1 0 0 0 0 7 49 1 0 0 0 0 8 50 1 0 0 0 0 9 51 1 0 0 0 0 10 52 1 0 0 0 0 11 53 1 0 0 0 0 12 54 1 0 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 15 57 1 0 0 0 0 27 19 1 1 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 25 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 31 2 0 0 0 0 21 32 1 0 0 0 0 22 30 2 0 0 0 0 22 34 1 0 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 24 33 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 29 1 1 0 0 0 28 38 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 30 32 1 0 0 0 0 31 44 1 0 0 0 0 32 33 2 0 0 0 0 34 46 1 0 0 0 0 M END > 21145475 > 1 > 384 > 20 > 13 > 2 > AAADceBzvAMAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCCAACDzhlwYF8L9MFhCgQQZhZICAgC0REKABUKAoVBCDWAJAyEAfRAgPEALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol;phosphoric acid > (2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanol;phosphoric acid > (2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;phosphoric acid > (2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;phosphoric acid > (2R,3R,5S)-2-(6-aminopurin-9-yl)-4-azanyl-5-(hydroxymethyl)oxolan-3-ol;phosphoric acid > (2R,3R,5S)-2-adenin-9-yl-4-amino-5-methylol-tetrahydrofuran-3-ol;phosphoric acid > InChI=1S/C10H14N6O3.3H3O4P/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16;3*1-5(2,3)4/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14);3*(H3,1,2,3,4)/t4-,5?,7-,10-;;;/m1.../s1 > MWLDAMUETUKMDR-GXYCKGFDSA-N > 560.04342504 > C10H23N6O15P3 > 560.24 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)N)O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H](C([C@H](O3)CO)N)O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O > 379 > 560.04342504 > 0 > 34 > 3 > 1 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 27 19 5 19 30 8 19 31 8 25 20 3 21 31 8 21 32 8 22 30 8 22 34 8 23 33 8 23 34 8 28 29 5 30 32 8 32 33 8 26 5 6 $$$$