5287673 -OEChem-10051720343D 31 32 0 1 0 0 0 0 0999 V2000 0.9893 0.8432 0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0956 -0.3432 -1.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 -2.6319 0.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 3.1815 0.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -1.4207 0.2034 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -0.0505 -0.3365 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3361 0.8549 -0.2111 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3234 0.4249 0.8531 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2806 -1.0960 0.7996 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3321 -0.3022 -0.2063 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4218 -1.5257 -0.1236 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9740 2.2025 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -0.2848 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4494 1.2930 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -1.1450 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8416 0.9349 -1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 0.7794 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 -1.5414 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -0.2471 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -1.8289 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 2.1861 1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 2.4943 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6345 -1.1521 -1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 -2.3705 1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 3.2124 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 1.9805 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 1.3319 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 1.6608 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 -0.8614 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -2.0136 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2997 -1.4490 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > DB04404 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MKJAYSJDHSEFRI-PVFLNQBWSA-N/SDF?record_type=3d > [H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N(C)C > InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1 > MKJAYSJDHSEFRI-PVFLNQBWSA-N > C9H16N2O4 > 216.2343 > 216.11100701 > 6 > 31 > 0.39321686601907574 > 21.732102111948624 > 1 > 3 > 0 > 0 > (3aR,4R,5R,6R,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazole-4,5-diol > -1.56 > -1.7314759463333336 > -0.64 > 0 > 1 > 2 > 0 > 14.593104311205636 > 13.122265753582662 > 6.81159964423901 > 85.52000000000001 > 51.6807 > 1 > 1 > 4.99e+01 g/l > biotin > 0 $$$$