Mrv0541 02231215452D 16 16 0 0 1 0 999 V2000 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 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 2 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 0.0000 0.0000 0.0000 C 0 0 1 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 2 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 -1.4289 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 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 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 2 0 0 0 0 9 15 1 0 0 0 0 3 15 1 0 0 0 0 15 16 1 1 0 0 0 M END > DB01818 > drugbank > OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]1O > InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m0/s1 > InChIKey=HHRMGTRTCHNCRO-XKTQNOIPSA-N > 8 > 21.54714443060114 > 1 > 5 > 260.020202672 > 0 > C6H12O9S > 0 > [(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid > -2.11 > -4.729415807583714 > -0.40 > 260.219 > 0 > 1 > -1 > 11.300440238027804 > -1.9980021667040395 > -2.98112808794708 > 153.75 > 45.9152 > 3 > 1 > 1.04e+02 g/l > O3-sulfonylgalactose > 0 > DB01818 > experimental > O3-Sulfonylgalactose $$$$