439507 -OEChem-03251822523D 24 24 0 1 0 0 0 0 0999 V2000 -0.4761 1.2254 0.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -2.3778 0.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 -1.7026 -1.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 0.0336 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 2.4423 0.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1566 1.3130 -0.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 -1.1668 0.5685 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9653 -1.2751 0.2365 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1724 0.0139 -0.1687 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6436 0.0788 0.4592 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8961 1.2092 -0.2548 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6279 0.2060 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 -1.0147 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4403 -2.0480 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 -0.1318 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 0.2811 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 1.1361 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 0.4195 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2407 -0.6676 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 -2.3754 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -1.0326 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -0.1820 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 2.3905 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 2.0877 -0.2449 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 > DB03989 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WQZGKKKJIJFFOK-IVMDWMLBSA-N/SDF?record_type=3d > OC[C@H]1OC(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-IVMDWMLBSA-N > C6H12O6 > 180.1559 > 180.063388116 > 6 > 24 > 16.055433567911017 > 1 > 5 > 0 > 0 > (3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol > -2.57 > -2.932539218 > 0.64 > 0 > 1 > 0 > 12.687538461190869 > 11.298101552080594 > -2.9810792051782764 > 110.38000000000001 > 35.923399999999994 > 1 > 1 > 7.82e+02 g/l > D-allopyranose > 0 $$$$