447916 -OEChem-10051720173D 32 34 0 1 0 0 0 0 0999 V2000 1.9895 -0.2390 -0.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 2.7416 0.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.3965 1.9754 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -1.5565 -1.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -0.1072 -0.1472 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -1.8081 0.5085 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 1.5192 -0.7042 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 0.6169 -0.3186 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5521 -1.5992 0.5073 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5598 1.3911 0.7537 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9773 0.6531 -0.4555 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8520 0.6534 1.0505 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2320 0.0869 -0.3123 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1198 -1.1438 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 0.3220 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.3919 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 -0.7469 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6852 -0.5683 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 1.5729 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 1.4191 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 1.3387 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6467 1.2884 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 0.8636 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -1.9837 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -0.9315 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 2.7373 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3157 0.0131 2.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -1.9766 0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -1.7338 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 2.5084 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5507 -1.4450 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -2.4844 0.8244 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 > DB03528 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OIRDTQYFTABQOQ-GAWUUDPSSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@@]1([H])O > 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-GAWUUDPSSA-N > C10H13N5O4 > 267.2413 > 267.096753929 > 8 > 32 > 0.008228449780690527 > 25.093954407272918 > 1 > 4 > 0 > 0 > (2R,3R,4R,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 > biotin > 0 $$$$