Ketcher 05112013532D 1 1.00000 0.00000 0 34 36 0 1 0 999 V2000 17.4213 -7.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1534 -5.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5554 -6.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4213 -4.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1533 -4.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1534 -8.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8854 -7.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 -8.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9572 -7.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9573 -5.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8854 -5.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4213 -2.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1533 -1.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8854 -2.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8235 -4.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7514 -4.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2874 -7.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2874 -6.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1534 -7.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5553 -7.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0194 -7.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6893 -7.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8233 -7.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8233 -6.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4213 -5.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0194 -6.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6894 -5.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2873 -4.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2873 -3.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1533 -2.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0193 -3.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0193 -4.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6895 -4.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8854 -4.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 20 1 1 6 0 0 2 18 1 0 0 0 2 26 1 0 0 0 3 20 1 0 0 0 3 27 1 0 0 0 4 25 1 0 0 0 28 4 1 1 0 0 5 28 1 0 0 0 5 32 1 0 0 0 19 6 1 1 0 0 21 7 1 6 0 0 22 8 1 6 0 0 23 9 1 1 0 0 24 10 1 6 0 0 26 11 1 1 0 0 29 12 1 6 0 0 30 13 1 1 0 0 31 14 1 6 0 0 15 33 1 0 0 0 16 34 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 18 25 1 1 0 0 19 21 1 0 0 0 20 22 1 0 0 0 21 26 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 27 1 0 0 0 27 33 1 1 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 34 1 1 0 0 M END > CHEBI:146926 > alpha-D-Glcp-(1->4)-[beta-D-Glcp-(1->6)]-beta-D-Glcp > A glucotriose that is β-D-glucopyranose in which the hydroxy groups at positions 4 and 6 have been converted into the corresponding α-D-glucopyranosyl and β-D-glucopyranosyl derivatives, respectively. > 3 > WURCS=2.0/2,3,2/[a2122h-1b_1-5][a2122h-1a_1-5]/1-2-1/a4-b1_a6-c1; alpha-D-gluco-hexopyranosyl-(1->4)-[beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-gluco-hexopyranose; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol > Glc(a1-4)[Glc(b1-6)]b-Glc; alpha-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranose > C18H32O16 > 504.438 > 504.16903 > 0 > O([C@@H]1[C@H](O[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO > InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16-,17-,18-/m1/s1 > OMDQUFIYNPYJFM-UWBMNBDUSA-N $$$$