Mrv1652305312218042D 29 30 0 0 1 0 999 V2000 -7.1447 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 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 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4302 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7158 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 9 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 6 0 0 0 21 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 1 0 0 0 24 27 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 1 0 0 0 M END > NP0137716 > NP-MRD > [H][C@]1(CO)O[C@@]([H])(OC2=CC(CCCCC)=CC(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C17H26O7/c1-2-3-4-5-10-6-11(19)8-12(7-10)23-17-16(22)15(21)14(20)13(9-18)24-17/h6-8,13-22H,2-5,9H2,1H3/t13-,14-,15+,16-,17-/m1/s1 > MWVXDTUYXNKDPO-NQNKBUKLSA-N > C17H26O7 > 342.388 > 342.167853177 > 7 > 50 > 36.07962067544382 > 1 > 5 > 0 > 1 > (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-pentylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 1.3897431286666668 > 0 > 2 > 0 > 12.20097350843542 > 9.527843863747437 > -2.981092343726333 > 119.61000000000001 > 85.60940000000001 > 7 > 1 > (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-pentylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0137716 > 11-Dehydroxygrevilloside B $$$$