CDK 0526202300 61 65 0 0 0 0 0 0 0 0999 V2000 6.8671 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 7.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 8.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 4.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 5.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 5.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -5.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -6.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 34 1 1 1 0 0 0 30 2 1 1 0 0 0 32 2 1 1 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 43 1 0 0 0 0 5 38 1 0 0 0 0 5 40 1 0 0 0 0 38 6 1 1 0 0 0 42 6 1 6 0 0 0 36 7 1 6 0 0 0 48 7 1 1 0 0 0 31 8 1 6 0 0 0 9 45 1 0 0 0 0 9 51 1 0 0 0 0 35 10 1 6 0 0 0 37 11 1 1 0 0 0 12 48 1 0 0 0 0 12 55 1 0 0 0 0 39 13 1 1 0 0 0 41 14 1 1 0 0 0 44 15 1 6 0 0 0 16 46 1 0 0 0 0 49 17 1 1 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 52 20 1 6 0 0 0 21 53 1 0 0 0 0 54 22 1 6 0 0 0 23 56 1 0 0 0 0 24 57 2 0 0 0 0 25 60 2 0 0 0 0 29 26 1 6 0 0 0 26 57 1 0 0 0 0 47 27 1 1 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 37 1 0 0 0 0 33 46 1 1 0 0 0 34 36 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 39 41 1 0 0 0 0 40 50 1 1 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 53 1 1 0 0 0 44 47 1 0 0 0 0 45 56 1 6 0 0 0 47 51 1 0 0 0 0 48 49 1 0 0 0 0 49 52 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 58 1 6 0 0 0 57 59 1 0 0 0 0 60 61 1 0 0 0 0 M END > CHEBI:150229 > N-[(3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-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-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/4,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_d2-e1; Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-galacto-hexopyranose > C34H58N2O25 > 894.827 > 894.33287 > 0 > O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO > InChI=1S/C34H58N2O25/c1-8-17(43)22(48)24(50)32(53-8)61-29-23(49)18(44)11(4-37)57-34(29)59-27-16(36-10(3)42)31(55-12(5-38)19(27)45)60-28-20(46)13(6-39)56-33(25(28)51)58-26-14(7-40)54-30(52)15(21(26)47)35-9(2)41/h8,11-34,37-40,43-52H,4-7H2,1-3H3,(H,35,41)(H,36,42)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,28-,29+,30?,31-,32-,33-,34-/m0/s1 > SHINBQYWIZCWNR-POSKTJGNSA-N $$$$