3011155 -OEChem-10051719333D 36 38 0 1 0 0 0 0 0999 V2000 1.9775 0.1218 1.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 -0.4579 -1.9075 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 -1.3326 0.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 2.8551 0.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3655 -0.6875 -0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -1.2933 0.3616 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 -2.3050 0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 1.0031 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 1.1692 -0.1746 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5754 3.0609 -0.3471 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 -1.1689 -0.9072 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6393 -1.1308 0.4305 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6465 -0.4197 -0.5741 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1974 0.6148 0.4599 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9047 1.9814 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.3093 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.4742 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 -0.9566 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 -0.1660 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 1.6635 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4327 0.2321 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 -2.1967 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 -1.9170 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 0.0268 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9207 0.7204 1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 1.9349 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7994 2.3980 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 -0.4645 -2.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 -0.8293 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4199 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3094 3.7189 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 3.4910 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 3.6117 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 0.9702 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3709 -0.3303 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 0.7265 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 13 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > DB01280 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IXOXBSCIXZEQEQ-UHTZMRCNSA-N/SDF?record_type=3d > COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O > InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1 > IXOXBSCIXZEQEQ-UHTZMRCNSA-N > C11H15N5O5 > 297.2673 > 297.107318615 > 9 > 36 > 0.0029278626097942375 > 28.339880928246377 > 1 > 4 > 0 > 0 > (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol > -0.81 > -1.5698491153333332 > -1.33 > 0 > 0 > 3 > 0 > 13.88926867780647 > 12.45392744274361 > 4.469570464386181 > 148.77 > 69.60480000000001 > 3 > 1 > 1.39e+01 g/l > biotin > 0 $$$$