104762 -OEChem-10051722493D 31 32 0 1 0 0 0 0 0999 V2000 1.8038 -0.5758 -0.9384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 2.3483 1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 1.9512 -0.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 -2.7983 -0.2557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 1.8513 -0.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4979 0.9507 -0.2763 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.0742 -0.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 -1.5408 0.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 -1.2014 0.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 1.0169 0.8057 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0922 0.8916 0.4232 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9448 0.4652 -0.4348 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1151 -0.4251 -0.3467 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3804 -1.6297 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 0.5863 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6761 -1.3486 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5392 -0.3387 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9551 -0.1289 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 0.4027 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 0.9342 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 1.2094 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -0.4106 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -1.7490 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -1.5525 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 2.8940 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 1.8145 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0886 -2.0899 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.8533 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 2.2370 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 -2.1028 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7765 -1.1081 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 11 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 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 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 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 M END > DB12617 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HZQDCMWJEBCWBR-UUOKFMHZSA-N/SDF?record_type=3d > NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O > InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1 > HZQDCMWJEBCWBR-UUOKFMHZSA-N > C9H13N3O6 > 259.216 > 259.080435163 > 7 > 31 > -0.02019612401381102 > 23.534960033292897 > 1 > 5 > 0 > 0 > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-1H-imidazole-4-carboxamide > -2.31 > -2.0329590416666665 > -0.86 > 0 > 0 > 2 > 0 > 12.455661924255354 > 8.684673915638887 > 2.771530121505014 > 151.05999999999997 > 55.5497 > 3 > 1 > 3.61e+01 g/l > biotin > 0 $$$$