71313041 -OEChem-05042407492D 74 78 0 1 0 0 0 0 0999 V2000 1.4410 5.7439 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 16.4699 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 13.4656 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 15.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 13.9700 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 14.6437 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 0.9425 6.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 5.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 17.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 17.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 6.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 15.7995 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 12.2077 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 3.2152 10.5983 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 1.4030 12.4030 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 0.5369 10.9030 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 1.4030 9.4030 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 3.5287 14.7763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9395 13.9683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5287 5.6833 0.0000 C 0 0 3 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 3.5259 13.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4792 14.4656 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 15.0520 0.0000 C 0 0 0 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 2.2690 11.9030 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 3.7988 11.4030 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 2.2690 10.9030 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 1.4030 10.4030 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 0.5369 11.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 4.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 15.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 14.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 5.7813 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 3.9635 12.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 14.1832 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 15.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 15.4835 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 14.5075 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 4.4188 11.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 15.0073 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 0.3225 6.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 5.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 17.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 16.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.2130 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 0.8660 9.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 9.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 15 2 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 16 2 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 27 5 1 1 0 0 0 6 28 1 0 0 0 0 29 7 1 1 0 0 0 7 59 1 0 0 0 0 8 30 1 0 0 0 0 8 60 1 0 0 0 0 9 35 1 0 0 0 0 9 63 1 0 0 0 0 10 36 1 0 0 0 0 10 64 1 0 0 0 0 11 66 1 0 0 0 0 12 67 1 0 0 0 0 13 68 1 0 0 0 0 14 69 1 0 0 0 0 31 17 1 1 0 0 0 17 37 1 0 0 0 0 17 39 1 0 0 0 0 32 18 1 1 0 0 0 18 38 1 0 0 0 0 18 40 1 0 0 0 0 19 39 2 0 0 0 0 19 41 1 0 0 0 0 20 40 2 0 0 0 0 20 42 1 0 0 0 0 21 37 2 0 0 0 0 21 45 1 0 0 0 0 22 38 2 0 0 0 0 22 46 1 0 0 0 0 23 43 1 0 0 0 0 23 45 2 0 0 0 0 24 44 1 0 0 0 0 24 46 2 0 0 0 0 25 43 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 26 44 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 48 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 34 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 35 1 1 0 0 0 33 53 1 0 0 0 0 34 36 1 1 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 61 1 0 0 0 0 40 62 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 45 65 1 0 0 0 0 46 70 1 0 0 0 0 M END > 71313041 > 1 > 961 > 22 > 10 > 8 > AAADceB7/AMAAAAAAAAAAAAAAAAAAWLEiQAsWAAAAAAAAFgB/gAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate;[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate > [(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate;[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate > [(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate > [(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate > [(2R,3S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate;[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate > [(2R,3S,5R)-2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate;[(2R,4S,5R)-5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate > InChI=1S/2C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2*2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6+,7?,10-;4-,6?,7+,10-/m11/s1 > UQRXDDDXDPEXNS-AGTAMSEFSA-N > 694.12616960 > C20H28N10O14P2 > 694.4 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)O)O)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)OP(=O)(O)O)N > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H](C([C@H](O3)CO)OP(=O)(O)O)O)N.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H](C([C@H](O3)CO)O)OP(=O)(O)O)N > 372 > 694.12616960 > 0 > 46 > 6 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 31 17 5 17 37 8 17 39 8 32 18 5 18 38 8 18 40 8 19 39 8 19 41 8 20 40 8 20 42 8 21 37 8 21 45 8 22 38 8 22 46 8 23 43 8 23 45 8 24 44 8 24 46 8 33 35 5 34 36 5 37 41 8 38 42 8 41 43 8 42 44 8 27 5 5 28 6 3 29 7 5 30 8 3 $$$$