447147 -OEChem-10051719583D 22 22 0 1 0 0 0 0 0999 V2000 0.4731 -1.0909 0.6964 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 1.6787 0.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7036 0.6741 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3846 -1.6591 -0.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 0.9627 -0.5478 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5258 1.2110 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.5348 -0.3669 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3117 0.5228 0.3942 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9363 -0.9564 0.4956 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7234 -0.8080 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 1.3555 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 2.2879 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 0.8744 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -1.0674 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 1.0116 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -1.4118 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 -1.8883 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3906 -0.3655 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 -0.4297 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.7203 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.6268 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 -1.0640 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END > DB02590 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KYPWIZMAJMNPMJ-KAZBKCHUSA-N/SDF?record_type=3d > [H][C@@]1(O)C[C@@]([H])(O)[C@@]([H])(O)O[C@]1([H])C > InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1 > KYPWIZMAJMNPMJ-KAZBKCHUSA-N > C6H12O4 > 148.1571 > 148.073558872 > 4 > 22 > -3.6995895527825866e-05 > 14.320960426754022 > 1 > 3 > 0 > 0 > (2S,3R,5R,6R)-6-methyloxane-2,3,5-triol > -1.73 > -1.1953345703333336 > 0.76 > 0 > 0 > 1 > 0 > 13.86966577993596 > 11.43374602682118 > -3.1878166539529 > 69.92 > 33.282599999999995 > 0 > 1 > 8.48e+02 g/l > biotin > 0 $$$$