Mrv2104 05272301562D 33 35 0 0 0 0 999 V2000 5.4223 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8348 -1.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -2.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -3.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -2.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -3.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 -3.9098 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 -3.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0234 -4.5773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1758 -4.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0896 -5.2152 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 -6.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 -5.3015 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2691 -5.1290 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7403 -1.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 2 0 0 0 0 5 6 1 4 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 22 33 1 0 0 0 0 17 33 1 0 0 0 0 8 13 1 0 0 0 0 M CHG 3 27 -1 31 -1 32 -1 M END > NP0339758 > NP-MRD > CC(CO)=CCNC1=NC=NC2=C1N=CN2C1OC(COP([O-])(=O)OP([O-])([O-])=O)C(O)C1O > InChI=1/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26)/p-3 > MXFPFNSSZYNJGX-UHFFFAOYNA-K > C15H20N5O11P2 > 508.298 > 508.06510122 > 13 > 53 > 44.74087660086353 > 0 > 4 > -3 > 0 > {[(3,4-dihydroxy-5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolan-2-yl)methyl phosphonato]oxy}phosphonate > -4.326045094130645 > 1 > 3 > -2 > 2.22206414732252 > 1.7674504994416762 > 4.71428544095294 > 247.33 > 107.96259999999997 > 10 > 0 > [(3,4-dihydroxy-5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolan-2-yl)methyl phosphonato]oxyphosphonate > 0 > NP0339758 > trans-zeatin riboside diphosphate $$$$