6386 -OEChem-02272018533D 15 14 0 0 0 0 0 0 0999 V2000 0.0001 0.0886 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.0042 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.7243 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 1.4186 -0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -0.7788 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -0.1866 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -0.8252 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -1.7245 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 1.9576 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.9921 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 1.4248 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 -1.7838 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 -0.8731 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 -0.2842 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 0.5741 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END > DB03900 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DKGAVHZHDRPRBM-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)O > InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 > DKGAVHZHDRPRBM-UHFFFAOYSA-N > C4H10O > 74.1216 > 74.073164942 > 1 > 15 > 3.5518060093902845e-09 > 8.938792591666179 > 1 > 1 > 0 > 0 > 2-methylpropan-2-ol > 0.70 > 0.5353825790000001 > 0.32 > 0 > 0 > 0 > 0 > 18.086988764524413 > -1.4485511143970207 > 20.23 > 22.0669 > 0 > 1 > 1.54e+02 g/l > α-L-methyl-fucose > 1 $$$$