70524183 -OEChem-05241300392D 76 76 0 1 0 0 0 0 0999 V2000 7.8456 1.9750 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.5239 0.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7116 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8456 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 3.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 2.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1668 6.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1668 11.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4347 7.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8988 7.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8988 12.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4347 12.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1075 1.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 0.9749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4849 3.2582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1797 3.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3364 2.3262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5776 1.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5776 0.9749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5239 2.2797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1075 1.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7116 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6911 2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6911 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6416 1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3859 2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2292 3.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1668 12.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1668 7.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0328 12.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0328 8.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3007 8.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3007 12.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6676 2.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6676 0.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1364 2.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3892 0.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3131 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1102 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4205 3.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4985 0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1013 4.5327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7979 2.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4643 1.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 7.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 11.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6993 13.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 13.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4313 13.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6343 13.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 7.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 7.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6993 8.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 8.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4313 8.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6342 8.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 7.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 7.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 10.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 6.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4357 8.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 7.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4357 12.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8978 12.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8978 8.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 4 26 1 0 0 0 0 24 5 1 1 0 0 0 5 47 1 0 0 0 0 6 49 1 0 0 0 0 8 34 1 0 0 0 0 8 70 1 0 0 0 0 9 33 1 0 0 0 0 9 68 1 0 0 0 0 10 32 1 0 0 0 0 10 69 1 0 0 0 0 11 39 1 0 0 0 0 11 76 1 0 0 0 0 12 38 1 0 0 0 0 12 71 1 0 0 0 0 13 37 1 0 0 0 0 13 72 1 0 0 0 0 14 36 1 0 0 0 0 14 73 1 0 0 0 0 15 35 1 0 0 0 0 15 74 1 0 0 0 0 16 40 1 0 0 0 0 16 75 1 0 0 0 0 25 17 1 6 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 28 2 0 0 0 0 18 29 1 0 0 0 0 19 27 2 0 0 0 0 19 31 1 0 0 0 0 20 30 1 0 0 0 0 20 31 2 0 0 0 0 21 30 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 6 0 0 0 23 26 1 0 0 0 0 23 42 1 1 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 31 50 1 0 0 0 0 32 35 1 0 0 0 0 32 40 1 0 0 0 0 32 55 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 33 54 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 34 53 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 56 1 0 0 0 0 40 57 1 0 0 0 0 M END > 70524183 > 1 > 524 > 19 > 12 > 7 > AAADcfB7vAIAAAAAAAAAAAAAAAAAAWJAAAAsSAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;glycerol > (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol;propane-1,2,3-triol > (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;propane-1,2,3-triol > (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;propane-1,2,3-triol > (4aR,6R,7R,7aS)-6-adenin-9-yl-2-hydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol;glycerol > InChI=1S/C10H12N5O6P.3C3H8O3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;3*4-1-3(6)2-5/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);3*3-6H,1-2H2/t4-,6-,7-,10-;;;/m1.../s1 > FDVOKPNJAKFBTK-MSQVLRTGSA-N > 605.194552 > C19H36N5O15P > 605.487402 > C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O > C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O > 337 > 605.194552 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 4 > 3 > 1 5 255 > 25 17 6 17 27 8 17 28 8 18 28 8 18 29 8 19 27 8 19 31 8 20 30 8 20 31 8 22 41 6 23 42 5 27 29 8 29 30 8 24 5 5 $$$$