69965994 -OEChem-03192406272D 44 48 0 1 0 0 0 0 0999 V2000 7.5256 -1.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 -2.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -4.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2502 -2.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -0.5515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 1.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 -0.7468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 3.7831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9876 -2.3120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5740 -1.5020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5768 -3.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5273 -2.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3373 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 -0.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4511 2.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 -0.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 4.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 4.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -2.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 -3.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -2.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 -3.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6849 -3.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 0.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6851 -4.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 -3.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8451 2.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 -0.5568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 4.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 2.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 5.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 3.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 10 2 1 1 0 0 0 2 34 1 0 0 0 0 12 3 1 1 0 0 0 3 36 1 0 0 0 0 4 14 1 0 0 0 0 4 37 1 0 0 0 0 11 5 1 6 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 23 1 0 0 0 0 8 18 1 0 0 0 0 8 23 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 6 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END > 69965994 > 1 > 542 > 7 > 4 > 3 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADBzhnwY98P/NlgCgAzZnZACCgC0xEqAJ2aA4dJiLeOLA2dGeZAhvkALbyCfwsMIOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(1H-indol-3-yl)purin-9-yl]tetrahydrofuran-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(1H-indol-3-yl)-9-purinyl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(1H-indol-3-yl)purin-9-yl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(1H-indol-3-yl)purin-9-yl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(1H-indol-3-yl)purin-9-yl]oxolane-3,4-diol > (2R,3R,4S,5R)-2-[6-(1H-indol-3-yl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C18H17N5O4/c24-6-12-15(25)16(26)18(27-12)23-8-22-14-13(20-7-21-17(14)23)10-5-19-11-4-2-1-3-9(10)11/h1-5,7-8,12,15-16,18-19,24-26H,6H2/t12-,15-,16-,18-/m1/s1 > JPNFQIUUWASLOY-HALQFCHDSA-N > 0.2 > 367.12805404 > C18H17N5O4 > 367.4 > C1=CC=C2C(=C1)C(=CN2)C3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O > C1=CC=C2C(=C1)C(=CN2)C3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O > 129 > 367.12805404 > 0 > 27 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 6 15 17 8 17 18 8 19 20 8 19 22 8 10 2 5 20 21 8 20 24 8 21 25 8 24 26 8 25 27 8 26 27 8 12 3 5 11 5 6 5 15 8 5 16 8 6 16 8 6 17 8 7 15 8 7 23 8 8 18 8 8 23 8 9 21 8 9 22 8 $$$$