91531 -OEChem-03182423362D 35 37 0 1 0 0 0 0 0999 V2000 5.0474 3.3034 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 -0.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 0.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 4.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 3.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 0.3476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 -0.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.6582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -1.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -1.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 0.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 2.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 1.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 0.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1557 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 3.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 14 3 1 1 0 0 0 3 30 1 0 0 0 0 4 17 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 21 2 0 0 0 0 13 9 1 6 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 32 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 2 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 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 17 1 6 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 22 33 1 0 0 0 0 M END > 91531 > 1 > 525 > 8 > 4 > 4 > AAADccBzuAIAAAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAAAEABgAAAHgAQCCAACBzhlgYFsBfMFxCoQQdxdICAgC0XEKABUIGoVECBWApAyCAeQIAPAALDAGCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate > [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate > [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate > [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate > [(2R,3S,5R)-3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate > [(2R,3S,5R)-3-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate > InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 > PHNGFPPXDJJADG-RRKCRQDMSA-N > -3.4 > 332.05218576 > C10H13N4O7P > 332.21 > C1C(C(OC1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)O > C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)O > 156 > 332.05218576 > 0 > 22 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 22 8 11 19 8 11 20 8 12 21 8 12 22 8 16 17 6 18 20 8 20 21 8 14 3 5 13 9 6 9 18 8 9 19 8 $$$$