CDK 0406202309 57 60 0 0 0 0 0 0 0 0999 V2000 9.4651 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 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 7.7331 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0000 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 12.0632 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.5000 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 2.5369 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0000 0.0000 C 0 0 1 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 -3.5000 0.0000 C 0 0 1 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 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 0 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 10.3312 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 4.0000 0.0000 C 0 0 2 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 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 3.5000 0.0000 C 0 0 2 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 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.5000 0.0000 C 0 0 0 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 3.4030 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26 1 1 1 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 2 35 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 28 4 1 6 0 0 0 4 37 1 0 0 0 0 5 34 1 0 0 0 0 36 5 1 1 0 0 0 6 37 1 0 0 0 0 6 46 1 0 0 0 0 29 7 1 6 0 0 0 30 8 1 1 0 0 0 9 40 1 0 0 0 0 9 47 1 0 0 0 0 39 10 1 6 0 0 0 41 11 1 1 0 0 0 12 43 1 0 0 0 0 44 13 1 6 0 0 0 14 45 1 0 0 0 0 47 15 1 1 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 2 0 0 0 0 19 51 2 0 0 0 0 20 52 2 0 0 0 0 21 53 2 0 0 0 0 27 22 1 6 0 0 0 22 50 1 0 0 0 0 31 23 1 1 0 0 0 23 51 1 0 0 0 0 38 24 1 6 0 0 0 24 52 1 0 0 0 0 42 25 1 1 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 33 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 29 31 1 0 0 0 0 31 34 1 0 0 0 0 33 43 1 6 0 0 0 35 45 1 1 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 48 1 6 0 0 0 41 44 1 0 0 0 0 42 47 1 0 0 0 0 44 46 1 0 0 0 0 46 49 1 1 0 0 0 50 54 1 0 0 0 0 51 55 1 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 M END > CHEBI:148262 > N-[(2S,3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-3-Acetamido-5-[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/2,4,3/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O]/1-2-2-2/a4-b1_b4-c1_c4-d1; GlcNAc(?1-4)GlcNAc(?1-4)GlcNAc(?1-4)a-GlcNAc; 2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose > C32H54N4O21 > 830.791 > 830.32805 > 0 > O([C@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)C3O[C@@H]([C@@H](OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@H]3NC(=O)C)CO > InChI=1S/C32H54N4O21/c1-9(41)33-17-23(47)26(14(6-38)51-29(17)50)55-31-19(35-11(3)43)25(49)28(16(8-40)53-31)57-32-20(36-12(4)44)24(48)27(15(7-39)54-32)56-30-18(34-10(2)42)22(46)21(45)13(5-37)52-30/h13-32,37-40,45-50H,5-8H2,1-4H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30?,31?,32?/m1/s1 > PFZKWTWCVGDJQC-VWVMHZLCSA-N $$$$