6021 -OEChem-10051720333D 31 33 0 1 0 0 0 0 0999 V2000 2.0134 -0.5158 -0.9536 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 2.2788 1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 2.1421 -0.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 -2.5963 -0.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 -1.3800 0.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -0.2507 -0.1427 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 1.5007 -0.5408 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 -1.8875 0.3962 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1301 0.8115 -0.2202 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7288 0.9999 0.8438 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0705 0.4221 -0.3998 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1865 1.0274 0.4284 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3175 -0.2573 -0.3837 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7172 -1.4569 0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 0.2656 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3691 -1.5649 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 -0.7358 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7535 -0.4952 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 1.6923 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 1.1865 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 0.3413 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8774 1.1095 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -0.1488 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -1.6728 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6932 -1.3005 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 2.8675 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -2.2366 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 2.1034 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 2.2547 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9299 -2.7222 -0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4996 2.7204 -0.7894 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 28 1 0 0 0 0 4 14 1 0 0 0 0 4 30 1 0 0 0 0 5 18 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 29 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 20 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 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB04335 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UGQMRVRMYYASKQ-KQYNXXCUSA-N/SDF?record_type=3d > OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O > InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 > UGQMRVRMYYASKQ-KQYNXXCUSA-N > C10H12N4O5 > 268.2261 > 268.080769514 > 8 > 31 > -6.72911788917317e-05 > 24.603674083841288 > 1 > 4 > 0 > 0 > 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one > -1.74 > -1.9609272363333337 > -1.27 > 0 > 0 > 3 > 0 > 12.469048188699862 > 10.927351735778977 > 2.737115874304895 > 129.20000000000002 > 60.898399999999995 > 2 > 1 > 1.43e+01 g/l > biotin > 0 $$$$