68785997 -OEChem-05142404262D 57 59 0 1 0 0 0 0 0999 V2000 7.7888 4.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 4.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6856 6.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3579 4.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 6.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5156 6.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 6.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8658 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5979 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5979 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0979 5.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4069 4.8978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0979 5.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5979 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9467 5.8488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9467 5.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2558 4.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5101 6.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 6.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5979 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8164 6.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 5.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4855 5.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0454 4.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 6.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 5.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 4.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8222 5.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 4.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0673 6.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3392 7.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 6.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 7.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4335 7.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 5.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 6.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0008 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1511 7.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0609 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 18 3 1 1 0 0 0 3 47 1 0 0 0 0 19 4 1 1 0 0 0 4 48 1 0 0 0 0 22 5 1 1 0 0 0 5 49 1 0 0 0 0 6 26 1 0 0 0 0 6 52 1 0 0 0 0 7 27 1 0 0 0 0 7 53 1 0 0 0 0 8 28 2 0 0 0 0 9 30 2 0 0 0 0 21 10 1 6 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 25 11 1 6 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 29 2 0 0 0 0 12 32 1 0 0 0 0 13 28 1 0 0 0 0 13 32 2 0 0 0 0 14 31 2 0 0 0 0 14 33 1 0 0 0 0 15 30 1 0 0 0 0 15 33 2 0 0 0 0 16 32 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 33 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 26 1 6 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 27 1 6 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 29 50 1 0 0 0 0 31 51 1 0 0 0 0 M END > 68785997 > 1 > 740 > 9 > 7 > 4 > AAADceB7/AAAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCAAACBThgAYBAANABgAoAAABNAAAAAEAAAABAAAIAACDEAIAiAAOQAAHBgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one > 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazin-2-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazin-2-one > 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one > 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one > 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3,5-triazin-2-one;4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,3,5-triazin-2-one > 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one > InChI=1S/C8H12N4O5.C8H12N4O4/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6;9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h2-6,13-15H,1H2,(H2,9,11,16);3-6,13-14H,1-2H2,(H2,9,11,15)/t3-,4-,5-,6-;4-,5+,6+/m10/s1 > SEAXAKYIBMDIRL-ARORVFOUSA-N > 472.16662437 > C16H24N8O9 > 472.41 > C1C(C(OC1N2C=NC(=NC2=O)N)CO)O.C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N > C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O.C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N > 262 > 472.16662437 > 0 > 33 > 7 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 10 6 10 28 8 10 29 8 25 11 6 11 30 8 11 31 8 12 29 8 12 32 8 13 28 8 13 32 8 14 31 8 14 33 8 15 30 8 15 33 8 20 26 6 23 27 6 18 3 5 19 4 5 22 5 5 $$$$