Mrv0541 02231217242D 12 12 0 0 1 0 999 V2000 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 6 0 0 0 M END > DB04091 > drugbank > CO[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6-,7-/m0/s1 > InChIKey=OHWCAVRRXKJCRB-ZYNSJIGGSA-N > 5 > 17.356769368662256 > 1 > 3 > 178.084123558 > 0 > C7H14O5 > 0 > (2S,3S,4R,5R,6S)-2-methoxy-6-methyloxane-3,4,5-triol > -1.65 > -1.2425027476666664 > 0.66 > 178.1831 > 0 > 1 > 0 > 13.27285412036063 > 12.225222350091551 > -3.612182097726836 > 79.15 > 39.1309 > 1 > 1 > 8.12e+02 g/l > β-L-methyl-fucose > 0 > DB04091 > experimental > Alpha-L-1-Methyl-Fucose $$$$