447048 -OEChem-04252405092D 59 62 0 1 0 0 0 0 0999 V2000 7.2500 -1.2678 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4090 -2.5550 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.9696 1.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 1.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 3.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3280 -3.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0421 -0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2402 -5.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4158 -5.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -2.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0881 -3.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4579 -2.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 -1.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 -1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 -1.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0999 -3.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 3.0679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 3.7200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 4.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 6.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 5.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 1.7407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0522 2.6067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8831 0.9975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0741 2.3988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0910 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 -5.1022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5190 -4.1511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8280 -5.1022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1370 -4.1511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5679 -3.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 4.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4152 5.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 5.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 2.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 2.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 0.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 2.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 -0.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 -0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2156 -5.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 -3.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5465 -5.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 -3.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9483 -3.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4816 -4.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 2.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0756 3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 2.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -6.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0324 -5.8464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2170 -3.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6384 6.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 -2.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4351 6.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3244 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 22 4 1 6 0 0 0 4 49 1 0 0 0 0 23 5 1 6 0 0 0 5 50 1 0 0 0 0 6 28 1 0 0 0 0 6 30 1 0 0 0 0 7 26 1 0 0 0 0 27 8 1 6 0 0 0 8 52 1 0 0 0 0 29 9 1 6 0 0 0 9 53 1 0 0 0 0 10 31 1 0 0 0 0 30 11 1 6 0 0 0 11 54 1 0 0 0 0 13 56 1 0 0 0 0 15 59 1 0 0 0 0 25 17 1 1 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 33 2 0 0 0 0 18 34 1 0 0 0 0 19 32 2 0 0 0 0 19 36 1 0 0 0 0 20 35 1 0 0 0 0 20 36 2 0 0 0 0 21 35 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 1 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 31 1 1 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 34 1 0 0 0 0 33 51 1 0 0 0 0 34 35 2 0 0 0 0 36 55 1 0 0 0 0 M END > 447048 > 1 > 877 > 18 > 8 > 9 > AAADceBzvAMAAAAAAAAAAAAAAAAAAWJEgAAsAAAAAAAAAFgB+AAAHgAQCCAACBzxlwcF+L9MFxCgQQZhZICAgC0REKABUCAoVBCTWAJAyEAeRAgPAALXACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4,5-trihydroxy-2-oxolanyl]methyl hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 > SRNWOUGRCWSEMX-ZQSHOCFMSA-N > -6.1 > 559.07167442 > C15H23N5O14P2 > 559.32 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N > C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N > 292 > 559.07167442 > 0 > 36 > 8 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 30 11 6 25 17 5 17 32 8 17 33 8 18 33 8 18 34 8 19 32 8 19 36 8 20 35 8 20 36 8 24 26 5 28 31 5 32 34 8 34 35 8 22 4 6 23 5 6 27 8 6 29 9 6 $$$$