64689 -OEChem-10051719543D 24 24 0 1 0 0 0 0 0999 V2000 -0.6679 1.1587 0.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -2.4483 -0.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 -2.0693 0.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 0.5414 -0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 2.6552 0.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3742 0.9717 -0.1865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3727 -1.2470 0.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0856 -1.0709 -0.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2211 -0.0621 -0.2375 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6082 0.3151 0.1839 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6388 1.4132 -0.2534 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6550 -0.1577 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 -1.3522 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2066 -1.2487 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 -0.0098 -1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7952 0.3598 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 1.5141 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6916 -0.1535 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1564 -1.0581 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 -2.3615 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -2.9356 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 0.4989 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 2.5033 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 1.7652 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 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 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END > DB02379 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WQZGKKKJIJFFOK-VFUOTHLCSA-N/SDF?record_type=3d > OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 > WQZGKKKJIJFFOK-VFUOTHLCSA-N > C6H12O6 > 180.1559 > 180.063388116 > 6 > 24 > -5.322476278306433e-05 > 16.354519229394423 > 1 > 5 > 0 > 0 > (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol > -2.57 > -2.932539218 > 0.64 > 0 > 0 > 1 > 0 > 12.687538461190869 > 11.298101552080594 > -2.9810792051782764 > 110.38000000000001 > 35.9234 > 1 > 1 > 7.82e+02 g/l > biotin > 0 $$$$