6251 -OEChem-10051719223D 26 25 0 1 0 0 0 0 0999 V2000 0.5166 1.3302 -1.1366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -1.3358 -1.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.0186 1.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 1.0310 1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -0.1186 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 0.1020 -0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 0.4748 0.0024 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6047 -0.4724 0.0035 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9649 -0.2560 -0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9614 0.2601 -0.0078 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1762 0.6728 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.6693 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 1.1123 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 -1.1051 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -0.9551 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.9595 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 1.3426 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.2728 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -1.3300 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 -1.2845 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 0.7909 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -0.8010 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -1.7939 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 0.4178 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -0.6503 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 0.6793 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 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 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 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END > DB00742 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FBPFZTCFMRRESA-KVTDHHQDSA-N/SDF?record_type=3d > OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO > InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 > FBPFZTCFMRRESA-KVTDHHQDSA-N > C6H14O6 > 182.1718 > 182.07903818 > 6 > 26 > 17.040202393955006 > 1 > 6 > 0 > 0 > (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol > -2.68 > -3.7300188486666666 > 0.10 > 0 > 0 > 0 > 13.37874915684328 > 12.585200956788803 > -2.974211614825128 > 121.38000000000001 > 38.40359999999999 > 5 > 0 > 2.29e+02 g/l > mannitol > 0 $$$$