Mrv1652309042000202D 53 58 0 0 0 0 999 V2000 10004.5670 9999.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.8593 9999.4773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10003.8593 9998.6520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10003.1454 9999.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10003.1454 9998.2403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10004.5732 9998.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10002.4315 9998.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.1454 9997.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.7156 9998.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10005.996910003.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10007.424710000.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.705310000.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.0037 9998.6520 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10001.705310002.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.2940 9998.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.4143 9999.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.5890 9999.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9999.5819 9998.6398 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9998.8734 9998.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9999.9927 9999.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9999.1685 9999.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9998.1587 9998.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.6631 9996.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9995.8732 9996.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10003.135810002.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.421410001.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.421410001.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.135810000.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.565410002.3775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10003.850910001.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.850910001.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.565410000.7275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10005.995810002.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.281310001.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.281310001.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.995810000.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10006.710310001.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.710310001.9649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9996.7739 9998.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9996.3614 9997.4404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9997.1864 9997.4404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9997.4413 9998.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9993.2804 9998.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.0255 9997.9541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9993.5776 9997.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.3845 9997.5124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9994.6394 9998.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.0873 9998.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.7283 9999.3517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9995.3931 9998.6325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9995.3070 9999.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.5000 9999.6245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9996.1075 9998.2199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 1 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 5 7 1 0 0 0 0 5 8 1 6 0 0 0 7 9 1 0 0 0 0 9 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 12 1 0 0 0 0 26 14 1 0 0 0 0 30 31 2 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 1 32 1 0 0 0 0 28 31 1 0 0 0 0 30 25 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 38 1 0 0 0 0 37 38 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 33 10 2 0 0 0 0 37 11 2 0 0 0 0 32 35 1 0 0 0 0 29 34 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 39 42 1 0 0 0 0 42 22 1 6 0 0 0 41 23 1 1 0 0 0 40 24 1 1 0 0 0 47 48 2 0 0 0 0 48 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 43 49 1 0 0 0 0 51 52 2 0 0 0 0 48 52 1 0 0 0 0 50 51 1 0 0 0 0 47 50 1 0 0 0 0 53 50 1 6 0 0 0 53 40 1 0 0 0 0 39 53 1 0 0 0 0 M END > CDB004898 > CDB > CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2 > 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 > C27H33N9O15P2 > 785.5497 > 785.157134455 > 19 > 86 > 70.5310152616057 > 0 > 9 > 0 > 0 > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid > -0.78 > -4.681078144323199 > -2.27 > 1 > 6 > -3 > 3.1867213383834065 > 1.8536451578834567 > 4.005031442352912 > 356.4199999999999 > 177.4308 > 13 > 0 > 4.25e+00 g/l > flavine-adenine dinucleotide > 0 > CDB004898 > FAD $$$$