1158 -OEChem-03282420342D 39 40 0 1 0 0 0 0 0999 V2000 6.8909 -2.4945 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -3.1989 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -1.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -1.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 1.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -3.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -1.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -3.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -3.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -4.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -2.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.9809 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4118 -0.0299 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7208 -0.9809 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2208 0.5579 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3086 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 0.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -2.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -2.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -2.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 1.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 3.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -1.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 -3.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -4.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 21 1 0 0 0 0 7 22 2 0 0 0 0 9 37 1 0 0 0 0 11 25 2 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END > 1158 > 1 > 676 > 12 > 6 > 6 > AAADccBzPAMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate > [5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate > [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate > [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate > [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate > [5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate > InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18) > XCCTYIAWTASOJW-UHFFFAOYSA-N > -4.7 > 404.00219788 > C9H14N2O12P2 > 404.16 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O > 212 > 404.00219788 > 0 > 25 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 15 3 15 22 8 15 23 8 16 22 8 16 25 8 19 21 3 23 24 8 24 25 8 17 4 3 18 5 3 $$$$