444188 -OEChem-04192415312D 87 92 0 1 0 0 0 0 0999 V2000 8.0197 1.4757 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.8857 -0.0243 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.1831 4.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 3.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 1.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -4.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 -3.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 2.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5197 0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 -0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2322 -8.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0139 -5.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 5.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 7.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -5.5242 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0156 5.2112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2437 -5.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -7.5242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 8.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1498 -7.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 3.8122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3741 3.0690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2050 4.6782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2876 3.4758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1536 2.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 5.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 6.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 6.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -4.0242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6178 -3.0242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4838 -4.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -2.5242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8100 7.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -6.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -6.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -7.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -7.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 5.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 -5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 -7.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2437 -7.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1498 -6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 -5.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4828 3.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 4.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 3.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 2.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 3.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 3.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 1.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 6.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0808 -3.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1547 -3.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0944 -4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -3.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -3.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3623 -1.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9638 -0.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 5.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7310 -4.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2148 -4.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7310 -8.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -1.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 -4.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3488 -2.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 8.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 8.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1397 2.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -4.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -5.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -6.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -7.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -7.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -7.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -8.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5757 -0.5612 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 12 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 1 0 0 0 4 60 1 0 0 0 0 28 5 1 1 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 74 1 0 0 0 0 10 42 1 0 0 0 0 38 11 1 6 0 0 0 11 76 1 0 0 0 0 12 79 1 0 0 0 0 14 87 1 0 0 0 0 16 50 2 0 0 0 0 17 51 2 0 0 0 0 29 18 1 6 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 37 1 0 0 0 0 20 40 1 0 0 0 0 20 41 2 0 0 0 0 21 32 2 0 0 0 0 21 45 1 0 0 0 0 22 39 1 0 0 0 0 22 45 2 0 0 0 0 23 41 1 0 0 0 0 23 51 1 0 0 0 0 23 75 1 0 0 0 0 24 43 1 0 0 0 0 24 44 2 0 0 0 0 25 39 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 83 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 6 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 1 0 0 0 0 33 62 1 0 0 0 0 34 39 2 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 42 1 0 0 0 0 38 67 1 0 0 0 0 40 43 2 0 0 0 0 40 46 1 0 0 0 0 41 44 1 0 0 0 0 42 68 1 0 0 0 0 42 69 1 0 0 0 0 43 48 1 0 0 0 0 44 50 1 0 0 0 0 45 70 1 0 0 0 0 46 47 2 0 0 0 0 46 71 1 0 0 0 0 47 49 1 0 0 0 0 47 52 1 0 0 0 0 48 49 2 0 0 0 0 48 73 1 0 0 0 0 49 53 1 0 0 0 0 52 80 1 0 0 0 0 52 81 1 0 0 0 0 52 82 1 0 0 0 0 53 84 1 0 0 0 0 53 85 1 0 0 0 0 53 86 1 0 0 0 0 M CHG 1 20 1 M END > 444188 > 1 > 1440 > 20 > 10 > 13 > AAADcfB7/AMAAAAAAAAAAAAAAAAAAWJAAAA8WLEAAAAAAFix/gAAHgAQCCAADBzhnwY38L/MFxCoQydzdICCgC03EqAB2CG4dNiLeOrA2fGeZIhvhSLbyGfwsIIOiAAAQAAQACAQAACAACAAQAAAAAAAAA== > [[(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-1H-benzo[g]pteridin-10-ium-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-1H-benzo[g]pteridin-10-ium-10-yl)-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-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-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-dioxo-1H-benzo[g]pteridin-10-ium-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)-1H-benzo[g]pteridin-10-ium-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-1H-benzo[g]pteridin-10-ium-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,(H5,28,29,30,34,42,43,44,45,46,47)/p+1/t14-,15+,16+,19-,20+,21+,26+/m0/s1 > IMGVNJNCCGXBHD-UYBVJOGSSA-O > -5 > 786.16496041 > C27H34N9O15P2+ > 786.6 > CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O > CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)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=C(N=CN=C65)N)O)O)O)O)O > 357 > 786.16496041 > 1 > 53 > 7 > 0 > 0 > 0 > 0 > 1 > 45 > 1 5 255 > 38 11 6 29 18 6 18 32 8 18 33 8 19 33 8 19 34 8 20 40 8 20 41 8 21 32 8 21 45 8 22 39 8 22 45 8 23 41 8 23 51 8 24 43 8 24 44 8 26 50 8 26 51 8 30 31 6 32 34 8 34 39 8 27 4 5 40 43 8 40 46 8 41 44 8 43 48 8 44 50 8 46 47 8 47 49 8 48 49 8 28 5 5 35 8 6 36 9 5 $$$$