643975 -OEChem-05181317392D 86 91 0 1 0 0 0 0 0999 V2000 10.1117 2.7085 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.9777 1.2085 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.4661 4.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8902 6.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0183 6.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 3.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 2.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -3.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -1.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 0.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 3.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 -1.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6117 1.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9777 1.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9777 1.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3242 -7.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1059 -4.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 4.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 4.2832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 6.6744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -4.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 6.8525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 5.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -6.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3358 -4.2568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2418 -5.8123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 5.9110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2751 5.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7970 5.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3797 4.7085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2457 4.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 5.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3062 4.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 5.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -2.7915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7098 -1.7915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5758 -3.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -1.2915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4151 5.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -4.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4418 -4.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 7.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -5.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8158 -4.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4418 -5.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9098 -4.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8158 -6.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9098 -5.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3358 -6.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0457 -4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0457 -6.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2418 -4.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6778 5.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 5.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 4.4661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 4.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8563 4.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4577 4.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 7.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 6.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5593 3.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7098 -3.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2467 -2.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1864 -3.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7879 -2.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3068 -0.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4543 -0.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0558 0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 7.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 -3.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3068 -2.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -0.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 -6.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 4.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2317 3.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4408 -1.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 -3.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 -3.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7336 -4.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7336 -5.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 -6.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 -6.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7776 -6.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6677 0.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 27 4 1 6 0 0 0 4 60 1 0 0 0 0 28 5 1 6 0 0 0 5 61 1 0 0 0 0 6 31 1 0 0 0 0 35 8 1 6 0 0 0 8 72 1 0 0 0 0 36 9 1 1 0 0 0 9 73 1 0 0 0 0 10 41 1 0 0 0 0 11 77 1 0 0 0 0 38 12 1 6 0 0 0 12 78 1 0 0 0 0 14 86 1 0 0 0 0 16 50 2 0 0 0 0 17 53 2 0 0 0 0 29 18 1 1 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 33 2 0 0 0 0 19 34 1 0 0 0 0 20 32 1 0 0 0 0 20 43 2 0 0 0 0 21 37 1 0 0 0 0 21 40 1 0 0 0 0 21 42 1 0 0 0 0 22 39 2 0 0 0 0 22 43 1 0 0 0 0 23 39 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 44 1 0 0 0 0 24 46 2 0 0 0 0 25 42 2 0 0 0 0 25 53 1 0 0 0 0 26 50 1 0 0 0 0 26 53 1 0 0 0 0 26 85 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 1 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 33 62 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 63 1 0 0 0 0 36 38 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 41 1 0 0 0 0 38 67 1 0 0 0 0 40 44 2 0 0 0 0 40 45 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 46 1 0 0 0 0 43 70 1 0 0 0 0 44 48 1 0 0 0 0 45 47 2 0 0 0 0 45 71 1 0 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 0 0 0 0 48 49 2 0 0 0 0 48 74 1 0 0 0 0 49 52 1 0 0 0 0 51 79 1 0 0 0 0 51 80 1 0 0 0 0 51 81 1 0 0 0 0 52 82 1 0 0 0 0 52 83 1 0 0 0 0 52 84 1 0 0 0 0 M END > 643975 > 1 > 1560 > 20 > 9 > 13 > AAADcfB7/AMAAAAAAAAAAAAAAAAAAWJAAAA8QIEAAAAAAFiB/AAAHgAQCCAADBzhnwY38L/MFxCoQydzdICCgC0xEqAB2CEodJiLeCrA2dGeZAhvhSLbyCfwsIIOiAAAQAAQACAQAACAACAAQAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate > InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 > VWWQXMAJTJZDQX-UYBVJOGSSA-N > -5 > 785.157135 > C27H33N9O15P2 > 785.549744 > CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O > CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O > 356 > 785.157135 > 0 > 53 > 7 > 0 > 0 > 0 > 0 > 1 > 9 > 1 5 255 > 38 12 6 29 18 5 18 32 8 18 33 8 19 33 8 19 34 8 20 32 8 20 43 8 21 40 8 21 42 8 22 39 8 22 43 8 24 44 8 24 46 8 25 42 8 25 53 8 26 50 8 26 53 8 30 31 5 32 34 8 34 39 8 27 4 6 40 44 8 40 45 8 44 48 8 45 47 8 46 50 8 47 49 8 48 49 8 28 5 6 35 8 6 36 9 5 $$$$