70691081 -OEChem-05132405002D 78 81 0 1 0 0 0 0 0999 V2000 7.2682 -0.4881 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.4328 -1.8971 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.8505 -1.1926 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6029 -3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3428 -4.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 2.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1029 -5.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0206 -2.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 -1.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 -1.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3277 -6.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3003 -3.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2418 -1.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4592 -1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6238 -2.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7161 -5.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9550 -2.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 -0.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8629 -4.6706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0219 -5.9578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2939 -4.3616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7891 1.9765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1029 -4.9494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0981 1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6029 -3.4106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 2.5643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9119 -4.3616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6859 0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6061 -4.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0709 -5.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5571 -4.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7651 -5.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2514 -3.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 0.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8555 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6553 -5.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8843 -2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3503 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1286 -0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 -0.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5723 -2.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8442 -2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2139 -5.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5659 -6.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4772 -3.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1508 -6.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0124 0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0598 -4.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8410 -4.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4429 -3.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4534 -2.5515 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 18 1 0 0 0 0 1 20 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 2 21 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 3 25 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 44 1 0 0 0 0 16 48 1 0 0 0 0 17 45 1 0 0 0 0 17 49 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 22 46 2 0 0 0 0 23 47 2 0 0 0 0 24 78 1 0 0 0 0 36 26 1 6 0 0 0 26 40 1 0 0 0 0 26 42 1 0 0 0 0 37 27 1 1 0 0 0 27 41 1 0 0 0 0 27 43 1 0 0 0 0 28 42 1 0 0 0 0 28 46 1 0 0 0 0 28 68 1 0 0 0 0 29 43 1 0 0 0 0 29 47 1 0 0 0 0 29 69 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 45 47 1 0 0 0 0 48 72 1 0 0 0 0 48 73 1 0 0 0 0 48 74 1 0 0 0 0 49 75 1 0 0 0 0 49 76 1 0 0 0 0 49 77 1 0 0 0 0 M END > 70691081 > 1 > 1450 > 22 > 9 > 14 > AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYDAAPABxCIQAFWUIKACAAAAAAAAABIAECDEAIAgAQPQAAPByITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-5-[5-methoxy-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate > bis[[(2R,3S,4R,5R)-5-(2,4-diketo-5-methoxy-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C20H29N4O22P3/c1-39-7-3-23(19(31)21-15(7)29)17-13(27)11(25)9(43-17)5-41-47(33,34)45-49(37,38)46-48(35,36)42-6-10-12(26)14(28)18(44-10)24-4-8(40-2)16(30)22-20(24)32/h3-4,9-14,17-18,25-28H,5-6H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,29,31)(H,22,30,32)/t9-,10-,11-,12-,13-,14-,17-,18-/m1/s1 > OIQNHQYHXLYPKB-WATVCZEXSA-N > -7.6 > 770.04862956 > C20H29N4O22P3 > 770.4 > COC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)OC)O)O)O)O > COC1=CN(C(=O)NC1=O)[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=C(C(=O)NC4=O)OC)O)O)O)O > 366 > 770.04862956 > 0 > 49 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 26 6 26 40 8 26 42 8 37 27 5 27 41 8 27 43 8 28 42 8 28 46 8 29 43 8 29 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 $$$$