57397751 -OEChem-05062416562D 57 61 0 1 0 0 0 0 0999 V2000 5.9405 0.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 2.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8669 3.6026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.6826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.4906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.1274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.1800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8655 1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4533 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9218 3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2723 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4478 2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2668 0.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8546 1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 0.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 2.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7528 2.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7633 1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 1.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4202 3.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0575 4.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9078 0.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8123 3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5190 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4712 1.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 6 0 0 0 2 40 1 0 0 0 0 13 3 1 6 0 0 0 3 41 1 0 0 0 0 4 16 1 0 0 0 0 4 20 1 0 0 0 0 5 20 2 0 0 0 0 14 6 1 1 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 2 0 0 0 0 8 27 1 0 0 0 0 9 24 1 0 0 0 0 9 27 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 51 1 0 0 0 0 11 24 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 1 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 18 42 1 0 0 0 0 19 24 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 49 1 0 0 0 0 28 31 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END > 57397751 > 1 > 688 > 9 > 4 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADBzhnwY9+P/NlgCoAzb3bACCgC0xEqAJ2aE4dJiLePLA2dGeZAhvkALbyCf4+PqOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-(1H-indol-3-yl)butanoate > 4-(1H-indol-3-yl)butanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(1H-indol-3-yl)butanoate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-(1H-indol-3-yl)butanoate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-(1H-indol-3-yl)butanoate > 4-(1H-indol-3-yl)butyric acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester > InChI=1S/C22H24N6O5/c23-20-17-21(26-10-25-20)28(11-27-17)22-19(31)18(30)15(33-22)9-32-16(29)7-3-4-12-8-24-14-6-2-1-5-13(12)14/h1-2,5-6,8,10-11,15,18-19,22,24,30-31H,3-4,7,9H2,(H2,23,25,26)/t15-,18-,19-,22-/m1/s1 > NSTYWSQXJPORMG-CIVUBGFFSA-N > 1.3 > 452.18081789 > C22H24N6O5 > 452.5 > C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O > C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O > 161 > 452.18081789 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 28 8 10 29 8 15 16 5 17 19 8 19 24 8 12 2 6 25 26 8 25 29 8 26 28 8 26 30 8 28 31 8 13 3 6 30 32 8 31 33 8 32 33 8 14 6 5 6 17 8 6 18 8 7 18 8 7 19 8 8 17 8 8 27 8 9 24 8 9 27 8 $$$$