Mrv0541 02231216212D 17 18 0 0 1 0 999 V2000 -4.2868 9.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 8.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 7.9651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 7.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 6.7276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 6.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.2526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0164 3.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 3.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 6.3151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 5.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 6.7276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 6.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 7.5526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 7.9651 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 11 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 1 0 0 0 M END > DB02645 > drugbank > OC[C@@H]1O[C@H](OCC[C@@H]2CO2)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10+/m1/s1 > InChIKey=RZSIARIQGABJJE-NESWFBESSA-N > 7 > 24.646594045226596 > 1 > 4 > 250.10525293 > 0 > C10H18O7 > 0 > (2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-{2-[(2R)-oxiran-2-yl]ethoxy}oxane-3,4,5-triol > -1.92 > -2.3881863570000004 > 0.23 > 250.2457 > 0 > 2 > 0 > 13.2002560049871 > 12.21098566033071 > -2.981083410590113 > 111.91000000000001 > 54.2847 > 5 > 1 > 4.21e+02 g/l > (2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-{2-[(2R)-oxiran-2-yl]ethoxy}oxane-3,4,5-triol > 0 > DB02645 > experimental > 3,4-Epoxybutyl-Alpha-D-Glucopyranoside $$$$