446586 -OEChem-02282017413D 23 23 0 1 0 0 0 0 0999 V2000 0.8187 -0.7709 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 1.8867 0.8275 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7374 1.1103 -0.3719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -2.4432 -0.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 0.0757 -0.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 1.1203 -0.3784 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5923 0.2763 -0.4993 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9139 0.2114 -0.3853 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6201 -0.8262 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3202 -1.6284 0.5454 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2062 0.9880 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2841 1.8376 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -0.1641 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -0.3191 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7594 -0.3704 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 -1.4760 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 -2.3043 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 1.4786 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 1.7359 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 2.5903 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6937 1.5439 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 -1.9908 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 0.5922 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 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 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 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 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END > DB04382 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PMMURAAUARKVCB-ARQDHWQXSA-N/SDF?record_type=3d > OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O > InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1 > PMMURAAUARKVCB-ARQDHWQXSA-N > C6H12O5 > 164.1565 > 164.068473494 > 5 > 23 > -5.925585883685738e-06 > 15.289424992165753 > 1 > 4 > 0 > 0 > (2S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol > -2.54 > -2.031901155 > 0.78 > 0 > 0 > 1 > 0 > 13.168346097486781 > 12.294304229799055 > -2.9809323333536977 > 90.15 > 34.412699999999994 > 1 > 1 > 9.84e+02 g/l > L-saccharopine > 0 $$$$