445238 -OEChem-10051719393D 27 27 0 1 0 0 0 0 0999 V2000 0.1142 -1.1030 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 1.8166 -0.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 2.9805 0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 1.3070 -0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -1.4037 0.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 -2.4027 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 1.0844 0.2225 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1699 1.7156 -0.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2337 -0.3746 -0.2332 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3529 0.8305 0.1933 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1276 -0.6201 -0.2332 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4975 -1.0600 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0607 -2.7705 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 1.1542 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 1.9216 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -0.4462 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5324 0.8929 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 -0.7070 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -1.0741 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -0.5729 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 1.7543 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 3.5130 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 1.2615 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -2.8237 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 -3.2193 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -2.8871 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -3.3023 0.2750 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 21 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 13 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 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > DB01642 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HOVAGTYPODGVJG-XUUWZHRGSA-N/SDF?record_type=3d > CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 > HOVAGTYPODGVJG-XUUWZHRGSA-N > C7H14O6 > 194.1825 > 194.07903818 > 6 > 27 > -7.071103771145082e-06 > 18.29565252029707 > 1 > 4 > 0 > 0 > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol > -2.49 > -2.2894127143333334 > 0.65 > 0 > 0 > 1 > 0 > 13.200415670112982 > 12.21139322915757 > -2.981083281156967 > 99.38000000000001 > 40.67459999999999 > 2 > 1 > 8.62e+02 g/l > biotin > 0 $$$$