59791412 -OEChem-03282420082D 56 61 0 1 0 0 0 0 0999 V2000 11.8418 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8861 -2.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3984 -1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6190 1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1795 -0.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 0.8971 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6065 -0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.0213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 1.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 2.0610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6761 -1.2478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1743 -0.3828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6538 -1.0378 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7562 -0.0430 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8111 -1.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6212 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5166 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 2.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8377 -0.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 -1.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7224 0.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -2.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1223 -2.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8345 -0.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2315 0.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4262 -2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9876 -1.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -0.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 -0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 1.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -0.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1553 1.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 2.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -0.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 11 2 1 1 0 0 0 2 41 1 0 0 0 0 3 13 1 0 0 0 0 3 42 1 0 0 0 0 4 16 1 0 0 0 0 4 51 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 25 1 0 0 0 0 7 18 1 0 0 0 0 7 19 2 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 8 50 1 0 0 0 0 9 17 1 0 0 0 0 9 28 2 0 0 0 0 10 25 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 18 25 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END > 59791412 > 1 > 703 > 8 > 4 > 3 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAA8WIAAAAAAAFgB/gAAHgAQCAAADFzhnwY38P/NlgCgAyZjZACCgC0xEqAJ2SA4dJiLeOLA2dGeZAhvkALbyCfwsMIOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (3R)-5-(hydroxymethyl)-3-methyl-2-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]tetrahydrofuran-3,4-diol > (3R)-5-(hydroxymethyl)-3-methyl-2-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-9-purinyl]oxolane-3,4-diol > (3R)-5-(hydroxymethyl)-3-methyl-2-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]oxolane-3,4-diol > (3R)-5-(hydroxymethyl)-3-methyl-2-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]oxolane-3,4-diol > (3R)-5-(hydroxymethyl)-3-methyl-2-[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)purin-9-yl]oxolane-3,4-diol > (3R)-3-methyl-5-methylol-2-[6-(1,3,4,9-tetrahydro-beta-carbolin-2-yl)purin-9-yl]tetrahydrofuran-3,4-diol > InChI=1S/C22H24N6O4/c1-22(31)18(30)16(9-29)32-21(22)28-11-25-17-19(23-10-24-20(17)28)27-7-6-13-12-4-2-3-5-14(12)26-15(13)8-27/h2-5,10-11,16,18,21,26,29-31H,6-9H2,1H3/t16?,18?,21?,22-/m1/s1 > CWYKBZDWZMEGAS-POJJPYAWSA-N > 0.8 > 436.18590327 > C22H24N6O4 > 436.5 > CC1(C(C(OC1N2C=NC3=C2N=CN=C3N4CCC5=C(C4)NC6=CC=CC=C56)CO)O)O > C[C@]1(C(C(OC1N2C=NC3=C2N=CN=C3N4CCC5=C(C4)NC6=CC=CC=C56)CO)O)O > 133 > 436.18590327 > 0 > 32 > 1 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 25 8 10 28 8 14 16 3 17 18 8 18 25 8 11 2 5 22 24 8 22 26 8 26 27 8 26 29 8 27 30 8 29 31 8 13 3 3 30 32 8 31 32 8 12 5 3 5 17 8 5 19 8 7 18 8 7 19 8 8 24 8 8 27 8 9 17 8 9 28 8 $$$$