444863 -OEChem-10051720123D 23 23 0 1 0 0 0 0 0999 V2000 -0.6633 -1.3841 0.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 2.4686 0.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 1.1735 1.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.1657 -0.3173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 -2.2706 0.5376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 1.1952 -0.4769 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0417 0.9942 -0.1898 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2831 0.0856 0.1625 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4622 -0.4232 -0.5919 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7252 -1.2922 -0.2048 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9208 -0.7128 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 1.2116 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 1.7497 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 0.2159 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -0.5670 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -1.5213 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 -1.7202 -0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 -0.6897 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5893 0.0048 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 2.4781 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 0.4256 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9547 1.0567 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.9220 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 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 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END > DB03283 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SHZGCJCMOBCMKK-KGJVWPDLSA-N/SDF?record_type=3d > C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1 > SHZGCJCMOBCMKK-KGJVWPDLSA-N > C6H12O5 > 164.1565 > 164.068473494 > 5 > 23 > -5.252303369875948e-05 > 15.27935739310254 > 1 > 4 > 0 > 0 > (2S,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol > -2.39 > -1.885629251333333 > 0.70 > 0 > 0 > 1 > 0 > 12.72441919550951 > 11.30218058050956 > -3.612173827247777 > 90.15 > 34.3797 > 0 > 1 > 8.27e+02 g/l > biotin > 0 $$$$