46830492 -OEChem-05042415312D 80 83 0 1 0 0 0 0 0999 V2000 6.8909 -1.3613 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -2.7702 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -2.0658 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2256 -4.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9655 -5.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -6.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -2.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9505 -7.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -2.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -3.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -3.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -1.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 6.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0820 -5.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.6911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4857 -5.5438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6447 -6.8310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.6911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3389 -6.4709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.1522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9166 -5.2348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 1.1033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7256 -5.8226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 0.1522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2256 -4.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 1.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5346 -5.2348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -3.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2288 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6936 -6.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1799 -5.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3878 -6.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 7.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0331 -6.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4782 -4.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 -6.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 -3.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9730 -4.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -1.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 -3.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 -2.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -1.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 -6.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1887 -7.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0999 -4.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6406 -4.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -0.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 -1.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 6.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4678 -7.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -3.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 7.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 7.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 7.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8415 -6.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6227 -6.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2247 -5.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 3 21 2 0 0 0 0 4 34 1 0 0 0 0 4 36 1 0 0 0 0 5 35 1 0 0 0 0 5 37 1 0 0 0 0 30 6 1 1 0 0 0 6 62 1 0 0 0 0 31 7 1 6 0 0 0 7 63 1 0 0 0 0 32 8 1 1 0 0 0 8 64 1 0 0 0 0 33 9 1 6 0 0 0 9 65 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 14 42 2 0 0 0 0 15 43 2 0 0 0 0 16 70 1 0 0 0 0 17 71 1 0 0 0 0 20 74 1 0 0 0 0 22 28 1 0 0 0 0 22 48 1 0 0 0 0 23 29 1 0 0 0 0 23 49 1 0 0 0 0 36 24 1 6 0 0 0 24 40 1 0 0 0 0 24 42 1 0 0 0 0 37 25 1 1 0 0 0 25 41 1 0 0 0 0 25 43 1 0 0 0 0 26 42 1 0 0 0 0 26 46 2 0 0 0 0 27 43 1 0 0 0 0 27 47 2 0 0 0 0 28 46 1 0 0 0 0 28 72 1 0 0 0 0 29 47 1 0 0 0 0 29 73 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 30 50 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 31 51 1 0 0 0 0 32 36 1 0 0 0 0 32 52 1 0 0 0 0 33 37 1 0 0 0 0 33 53 1 0 0 0 0 34 38 1 6 0 0 0 34 54 1 0 0 0 0 35 39 1 1 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 40 44 2 0 0 0 0 40 66 1 0 0 0 0 41 45 2 0 0 0 0 41 67 1 0 0 0 0 44 46 1 0 0 0 0 44 68 1 0 0 0 0 45 47 1 0 0 0 0 45 69 1 0 0 0 0 48 75 1 0 0 0 0 48 76 1 0 0 0 0 48 77 1 0 0 0 0 49 78 1 0 0 0 0 49 79 1 0 0 0 0 49 80 1 0 0 0 0 M END > 46830492 > 1 > 1420 > 20 > 9 > 16 > AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAUCCAACBThgAYDAANQBxCoQCJmdICAAAEAAgAoAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxo-1-pyrimidinyl]-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-5-[4-(methoxyamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-keto-4-(methoxyamino)pyrimidin-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C20H31N6O20P3/c1-39-23-11-3-5-25(19(31)21-11)17-15(29)13(27)9(43-17)7-41-47(33,34)45-49(37,38)46-48(35,36)42-8-10-14(28)16(30)18(44-10)26-6-4-12(24-40-2)22-20(26)32/h3-6,9-10,13-18,27-30H,7-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,23,31)(H,22,24,32)/t9-,10-,13-,14-,15-,16-,17-,18-/m1/s1 > VRDDLMOUKGBIFO-ZNYGVHBGSA-N > -7.8 > 768.08059839 > C20H31N6O20P3 > 768.4 > CONC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)NOC)O)O)O)O > CONC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)NOC)O)O)O)O > 356 > 768.08059839 > 0 > 49 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 24 6 24 40 8 24 42 8 37 25 5 25 41 8 25 43 8 26 42 8 26 46 8 27 43 8 27 47 8 34 38 6 35 39 5 40 44 8 41 45 8 44 46 8 45 47 8 30 6 5 31 7 6 32 8 5 33 9 6 $$$$