12374 -OEChem-10051719513D 22 21 0 0 0 0 0 0 0999 V2000 4.2994 0.2896 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 -0.2893 -0.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 -0.4529 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 0.4527 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 0.3644 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -0.3645 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -0.5290 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 0.5291 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 -1.1124 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -1.0950 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 1.0946 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.1125 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9415 0.9956 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 1.0541 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -0.9961 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 -1.0540 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -1.1359 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 -1.1991 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 1.1362 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 1.1990 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 0.8034 0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2947 -0.8034 0.8105 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 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END > DB02210 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XXMIOPMDWAUFGU-UHFFFAOYSA-N/SDF?record_type=3d > OCCCCCCO > InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2 > XXMIOPMDWAUFGU-UHFFFAOYSA-N > C6H14O2 > 118.1742 > 118.099379692 > 2 > 22 > 2.1868619965304247e-09 > 14.253472296171063 > 1 > 2 > 0 > 0 > hexane-1,6-diol > 0.59 > 0.2577806593333332 > -0.15 > 0 > 0 > 0 > 0 > 16.84394244872207 > 16.84394244872207 > -1.6912295772649841 > 40.46 > 33.2656 > 5 > 1 > 8.44e+01 g/l > tetrahydrofolic acid > 0 $$$$