Mrv0541 02231217092D 15 15 0 0 1 0 999 V2000 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 6 0 0 0 M END > DB03740 > drugbank > CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O > InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 > InChIKey=OVRNDRQMDRJTHS-JAJWTYFOSA-N > 6 > 21.03656445486596 > 1 > 5 > 221.089937217 > 0 > C8H15NO6 > 0 > N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > -2.60 > -3.220574411666667 > 0.06 > 221.2078 > 0 > 1 > 0 > 12.811681816701025 > 11.604129514800581 > -0.7815744979932194 > 119.25000000000001 > 47.024699999999996 > 2 > 1 > 2.54e+02 g/l > N-acetyl-D-allosamine > 0 > DB03740 > experimental > 2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose $$$$