Mrv2104 05272301562D 37 39 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 -0.6808 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3483 -2.7538 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 -2.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 -3.4212 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0157 -3.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 -2.9032 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 -2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -3.6568 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5231 -2.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1905 -3.0525 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.8579 -3.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6754 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -3.7200 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 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 22 37 1 0 0 0 0 17 37 1 0 0 0 0 8 13 1 0 0 0 0 M CHG 3 27 -1 31 -1 36 -1 M END > NP0339759 > NP-MRD > CC(CO)=CCNC1=NC=NC2=C1N=CN2C1OC(COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)C(O)C1O > InChI=1/C15H24N5O14P3/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(32-15)5-31-36(27,28)34-37(29,30)33-35(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,29,30)(H,16,17,18)(H2,24,25,26)/p-3 > AOFQQLZNDSBFLN-UHFFFAOYNA-K > C15H21N5O14P3 > 588.277 > 588.03143211 > 15 > 58 > 49.342127949667955 > 0 > 5 > -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}(hydrogen phosphonatooxy)phosphinate > -4.947847121538247 > 1 > 3 > -3 > 1.5498965792928951 > 0.898825240476372 > 4.717370532893646 > 293.86 > 118.83549999999995 > 12 > 0 > [(3,4-dihydroxy-5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolan-2-yl)methyl phosphonato]oxy(hydrogen phosphonatooxy)phosphinate > 0 > NP0339759 > trans-zeatin riboside triphosphate $$$$