447845 -OEChem-10051719563D 24 24 0 1 0 0 0 0 0999 V2000 -0.0472 -1.5926 -0.1925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 2.5058 -0.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 1.0384 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 -1.7373 -0.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 1.2689 0.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 0.5223 -0.2070 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0506 1.2518 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2144 -0.9284 0.3084 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2828 0.4318 -0.1999 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1639 -1.0118 0.2825 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4148 -1.7489 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3156 0.5138 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 1.4652 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 -0.9503 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 0.4678 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -1.0834 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -1.3468 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 -1.7787 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -2.7870 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3945 2.2154 -0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 1.3605 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 3.0773 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 1.9583 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 -1.4229 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END > DB02469 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RJKBJEZZABBYBA-VFUOTHLCSA-N/SDF?record_type=3d > [H][C@]1(C)O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N > InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6-/m1/s1 > RJKBJEZZABBYBA-VFUOTHLCSA-N > C6H13NO4 > 163.1717 > 163.084457909 > 5 > 24 > 0.9731970935464077 > 15.831688744996123 > 1 > 4 > 0 > 0 > (2R,3R,4S,5S,6R)-5-amino-6-methyloxane-2,3,4-triol > -2.12 > -1.9925110479999997 > 0.65 > 0 > 1 > 1 > 1 > 13.105899394078007 > 11.320235686013067 > 8.560832302072079 > 95.94000000000001 > 36.0372 > 0 > 1 > 7.22e+02 g/l > biotin > 0 $$$$