CDK 0317202300 76 81 0 0 0 0 0 0 0 0999 V2000 9.4651 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 4.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 4.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 4.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 4.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -5.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -6.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35 1 1 6 0 0 0 39 1 1 1 0 0 0 2 39 1 0 0 0 0 2 44 1 0 0 0 0 3 41 1 0 0 0 0 3 43 1 0 0 0 0 43 4 1 1 0 0 0 45 4 1 1 0 0 0 38 5 1 1 0 0 0 51 5 1 1 0 0 0 6 48 1 0 0 0 0 50 6 1 6 0 0 0 36 7 1 1 0 0 0 47 8 1 1 0 0 0 57 8 1 1 0 0 0 9 50 1 0 0 0 0 9 58 1 0 0 0 0 40 10 1 1 0 0 0 11 49 1 0 0 0 0 11 60 1 0 0 0 0 42 12 1 6 0 0 0 13 51 1 0 0 0 0 13 64 1 0 0 0 0 14 57 1 0 0 0 0 14 66 1 0 0 0 0 46 15 1 6 0 0 0 53 16 1 1 0 0 0 17 54 1 0 0 0 0 55 18 1 6 0 0 0 56 19 1 6 0 0 0 20 60 1 0 0 0 0 61 21 1 6 0 0 0 62 22 1 1 0 0 0 63 23 1 1 0 0 0 65 24 1 6 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 27 70 1 0 0 0 0 28 69 2 0 0 0 0 29 71 1 0 0 0 0 30 72 2 0 0 0 0 31 74 2 0 0 0 0 37 32 1 6 0 0 0 32 69 1 0 0 0 0 52 33 1 1 0 0 0 33 72 1 0 0 0 0 59 34 1 6 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 36 37 1 0 0 0 0 37 43 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 41 54 1 1 0 0 0 42 44 1 0 0 0 0 44 48 1 1 0 0 0 45 46 1 0 0 0 0 45 49 1 0 0 0 0 46 52 1 0 0 0 0 47 50 1 0 0 0 0 47 53 1 0 0 0 0 49 67 1 6 0 0 0 51 56 1 0 0 0 0 52 60 1 0 0 0 0 53 55 1 0 0 0 0 55 58 1 0 0 0 0 56 61 1 0 0 0 0 57 59 1 0 0 0 0 58 68 1 1 0 0 0 59 62 1 0 0 0 0 61 63 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 64 70 1 6 0 0 0 65 66 1 0 0 0 0 66 71 1 1 0 0 0 69 73 1 0 0 0 0 72 75 1 0 0 0 0 74 76 1 0 0 0 0 M END > CHEBI:147071 > N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/4,6,5/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-2/a4-b1_b4-c1_c3-d1_c6-e1_e2-f1; GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose > C42H71N3O31 > 1114.020 > 1113.40715 > 0 > O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H]3O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)CO > InChI=1S/C42H71N3O31/c1-10(51)43-19-27(59)33(16(7-49)67-37(19)65)73-39-21(45-12(3)53)28(60)34(17(8-50)71-39)74-41-32(64)35(75-40-31(63)29(61)23(55)14(5-47)69-40)25(57)18(72-41)9-66-42-36(30(62)24(56)15(6-48)70-42)76-38-20(44-11(2)52)26(58)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37?,38+,39+,40-,41+,42+/m1/s1 > VUYBSSUZZPSMQS-TVVWXBCPSA-N $$$$