21704 -OEChem-10051719093D 32 34 0 1 0 0 0 0 0999 V2000 1.6129 0.2039 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 -0.4886 -1.8957 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 -1.5204 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 2.8702 0.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2806 -1.0797 0.3796 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -1.9098 0.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.2504 -0.1005 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 1.6214 -0.3326 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -0.1421 -0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9227 -1.2106 -0.8484 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1744 -1.0427 0.4706 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2532 -0.5617 -0.5248 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8814 0.5577 0.4498 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7219 1.9137 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 -0.0277 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 -2.1880 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 -0.5631 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4497 0.3146 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 2.0025 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9911 -2.2637 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -1.8257 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 -0.2034 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 0.6387 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.9029 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 2.2260 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 -0.5823 -2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 -1.0778 0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 -3.1654 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 3.7261 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 3.0550 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9843 -1.1167 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5267 0.5151 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 19 30 1 0 0 0 0 M END > DB00194 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OIRDTQYFTABQOQ-UHTZMRCNSA-N/SDF?record_type=3d > NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O > InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1 > OIRDTQYFTABQOQ-UHTZMRCNSA-N > C10H13N5O4 > 267.2413 > 267.096753929 > 8 > 32 > 0.008228449780690527 > 25.202353602270605 > 1 > 4 > 0 > 0 > (2R,3S,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol > -1.21 > -2.0909638716666668 > -1.28 > 0 > 0 > 3 > 0 > 13.891216626643676 > 12.45400327600706 > 3.938763097294345 > 139.54 > 63.1956 > 2 > 1 > 1.40e+01 g/l > tetrahydrofolic acid > 0 $$$$