Marvin 12170715012D 19 21 0 0 1 0 999 V2000 0.9372 -0.2267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 -1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 -1.4642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 -2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -2.7017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 -2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 -1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -1.2093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 -1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 -2.5442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 -3.3290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2062 -3.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 -4.6639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4361 -5.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -4.4089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1432 -4.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 -3.5839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1432 -3.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -6.0616 0.0000 Cl 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 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 11 10 1 1 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 M END > CHEBI:47133 > 5'-chloro-5'-deoxyadenosine > 3 > 5'-chloroadenosine; 5'-CHLORO-5'-DEOXYADENOSINE; 5'-chloro-5'-deoxyadenosine > 5'-chloro-5'-deoxyadenosine > C10H12ClN5O3 > 285.68688 > 285.06287 > 0 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O > InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 > IYSNPOMTKFZDHZ-KQYNXXCUSA-N > 624885 > 892-48-8 > 697760 > 892-48-8 > 5CD $$$$