439781 -OEChem-10051719443D 22 22 0 1 0 0 0 0 0999 V2000 -0.8159 -1.0070 -0.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 1.7044 -1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 1.9842 0.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 -0.8252 0.2687 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 -0.5932 0.3183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -2.5999 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 1.3757 0.1747 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1459 0.9271 0.5449 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2214 0.2314 0.4718 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5219 -0.3125 -0.2468 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6449 0.5247 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -1.4096 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 2.2803 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 0.7382 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 0.0237 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7011 -0.0760 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6955 0.6632 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 1.4138 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 0.8813 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 1.6657 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 -1.0093 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -0.7074 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 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 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 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 M END > DB01885 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PHOQVHQSTUBQQK-MGCNEYSASA-N/SDF?record_type=3d > [H][C@]1(O)C(=O)O[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O > InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1 > PHOQVHQSTUBQQK-MGCNEYSASA-N > C6H10O6 > 178.14 > 178.047738052 > 5 > 22 > -2.509589018211996e-05 > 15.454487626135943 > 1 > 4 > 0 > 0 > (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one > -2.16 > -2.745273186 > 0.52 > 0 > 0 > 1 > 0 > 13.052238160862652 > 11.618472493037627 > -2.98908460439549 > 107.22000000000001 > 34.7788 > 1 > 1 > 5.86e+02 g/l > biotin > 0 $$$$