Marvin 02261314542D 28 31 0 0 1 0 999 V2000 17.5418 -8.2205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5464 -9.0363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1109 -8.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8244 -7.8099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8366 -9.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1151 -9.0492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2515 -7.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2639 -9.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8480 -10.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8244 -6.9777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4016 -9.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6841 -9.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0398 -5.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 -5.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0398 -6.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 -5.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 -7.1353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 -6.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8244 -5.6429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 -4.6604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3093 -6.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 -4.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 -3.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3253 -2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 -1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8964 -2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8964 -3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 1 7 1 6 0 0 0 2 8 1 1 0 0 0 5 9 1 6 0 0 0 4 10 1 6 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 6 5 1 0 0 0 0 13 19 1 0 0 0 0 13 14 2 0 0 0 0 14 20 1 0 0 0 0 13 15 1 0 0 0 0 15 10 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 16 18 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 10 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 28 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END > CHEBI:72604 > N-benzyl-9-(alpha-D-glucosyl)adenine > An N-glycosyl compound that is N-benzyladenine in which an ?-D-glucopyranosyl residue is attached at position N-9. > 3 > N-benzyl-9-(alpha-D-glucopyranosyl)adenine; benzyladenine-9-N-glucoside > N-benzyl-9-(alpha-D-glucopyranosyl)-9H-purin-6-amine > C18H21N5O5 > 387.38980 > 387.15427 > 0 > OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 > InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1 > KRUUBWXADMDQSI-YYZLIPTLSA-N > 21539944 > CPD-4608 $$$$