197020 -OEChem-04062022023D 31 32 0 1 0 0 0 0 0999 V2000 -1.6889 -0.5366 1.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 2.3590 -1.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7102 1.5689 0.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -3.0584 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2624 2.2954 0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 0.0175 -0.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 0.2021 0.2799 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 0.6804 0.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3036 -0.9783 -0.3394 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 0.9834 -0.8013 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0953 0.5974 -0.5158 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9637 0.5864 0.4894 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9272 -0.6850 0.2877 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8194 -1.9305 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6791 -1.1098 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 1.1217 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 -1.5533 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -0.5602 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 0.4093 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 0.4971 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 1.3952 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 -0.8172 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 -1.8905 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 -2.0662 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 2.5455 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 1.5964 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1388 -1.8052 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -3.8404 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 -2.5754 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -1.8973 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 -0.4072 0.3532 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 16 2 0 0 0 0 6 9 1 0 0 0 0 6 31 1 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 1 0 0 0 0 8 18 2 0 0 0 0 9 18 1 0 0 0 0 9 30 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 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 M END > DB15660 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XCUAIINAJCDIPM-XVFCMESISA-N/SDF?record_type=3d > OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(NO)=NC1=O > InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1 > XCUAIINAJCDIPM-XVFCMESISA-N > C9H13N3O6 > 259.218 > 259.080435151 > 8 > 31 > 0.9990964077914557 > 23.54666891091441 > 1 > 5 > 0 > 0 > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)-1,2-dihydropyrimidin-2-one > -1.99 > -2.7358656783333335 > -0.88 > 0 > 0 > 2 > 0 > 13.89521642897345 > 12.551489249912413 > 2.3882067192444145 > 134.85 > 66.8022 > 3 > 1 > 3.44e+01 g/l > 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one > 0 $$$$