CDK 0406202300 47 50 0 0 0 0 0 0 0 0999 V2000 8.5991 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 1 0 0 0 25 1 1 1 0 0 0 2 25 1 0 0 0 0 2 30 1 0 0 0 0 23 3 1 6 0 0 0 32 3 1 1 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 32 1 0 0 0 0 5 37 1 0 0 0 0 24 6 1 1 0 0 0 7 33 1 0 0 0 0 39 7 1 6 0 0 0 27 8 1 1 0 0 0 29 9 1 1 0 0 0 10 31 1 0 0 0 0 11 39 1 0 0 0 0 11 43 1 0 0 0 0 34 12 1 1 0 0 0 35 13 1 6 0 0 0 36 14 1 6 0 0 0 15 38 1 0 0 0 0 40 16 1 1 0 0 0 41 17 1 6 0 0 0 42 18 1 6 0 0 0 19 45 2 0 0 0 0 20 46 1 0 0 0 0 26 21 1 6 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 28 33 1 1 0 0 0 29 30 1 0 0 0 0 30 38 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 44 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 46 1 6 0 0 0 45 47 1 0 0 0 0 M END > CHEBI:147687 > N-[(3R,4R,5R,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide > 2 > WURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-2/a3-b1_a6-d1_b2-c1; Fuc(a1-2)Gal(b1-3)[Gal(b1-6)]GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose > C26H45NO20 > 691.633 > 691.25349 > 0 > O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1NC(=O)C)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[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO > InChI=1S/C26H45NO20/c1-6-12(31)16(35)20(39)25(42-6)47-22-18(37)14(33)9(4-29)45-26(22)46-21-11(27-7(2)30)23(40)43-10(15(21)34)5-41-24-19(38)17(36)13(32)8(3-28)44-24/h6,8-26,28-29,31-40H,3-5H2,1-2H3,(H,27,30)/t6-,8+,9+,10+,11+,12+,13-,14-,15-,16+,17-,18-,19+,20-,21+,22+,23?,24+,25-,26-/m0/s1 > ASHZKRVZVQSQJW-VZRMQYERSA-N $$$$