CDK 0603202300 73 78 0 0 0 0 0 0 0 0999 V2000 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3923 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 1 0 0 0 39 1 1 6 0 0 0 35 2 1 6 0 0 0 44 2 1 6 0 0 0 3 39 1 0 0 0 0 3 42 1 0 0 0 0 4 41 1 0 0 0 0 4 43 1 0 0 0 0 43 5 1 1 0 0 0 46 5 1 6 0 0 0 6 44 1 0 0 0 0 6 50 1 0 0 0 0 45 7 1 1 0 0 0 55 7 1 6 0 0 0 36 8 1 6 0 0 0 37 9 1 6 0 0 0 40 10 1 1 0 0 0 11 51 1 0 0 0 0 11 56 1 0 0 0 0 12 52 1 0 0 0 0 62 12 1 6 0 0 0 13 55 1 0 0 0 0 13 61 1 0 0 0 0 47 14 1 1 0 0 0 48 15 1 6 0 0 0 49 16 1 1 0 0 0 17 54 1 0 0 0 0 18 62 1 0 0 0 0 18 68 1 0 0 0 0 56 19 1 6 0 0 0 57 20 1 1 0 0 0 58 21 1 1 0 0 0 22 59 1 0 0 0 0 60 23 1 6 0 0 0 24 63 1 0 0 0 0 64 25 1 6 0 0 0 65 26 1 6 0 0 0 67 27 1 1 0 0 0 28 66 2 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 2 0 0 0 0 38 32 1 1 0 0 0 32 66 1 0 0 0 0 53 33 1 6 0 0 0 33 71 1 0 0 0 0 34 36 1 0 0 0 0 34 41 1 0 0 0 0 35 37 1 0 0 0 0 35 40 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 43 1 0 0 0 0 40 42 1 0 0 0 0 41 54 1 6 0 0 0 42 52 1 6 0 0 0 44 45 1 0 0 0 0 45 47 1 0 0 0 0 46 49 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 48 50 1 0 0 0 0 49 53 1 0 0 0 0 50 59 1 1 0 0 0 51 63 1 1 0 0 0 53 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 69 1 1 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 67 1 0 0 0 0 66 72 1 0 0 0 0 67 68 1 0 0 0 0 68 70 1 6 0 0 0 71 73 1 0 0 0 0 M END > CHEBI:153240 > N-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/3,6,5/[a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-2/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1; Man(a1-2)Man(a1-3)[Man(b1-6)]Man(b1-4)GlcNAc(a1-4)a-GlcNAc; alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose > C40H68N2O31 > 1072.967 > 1072.38060 > 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@H](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[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO)CO)[C@@H]3O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO > InChI=1S/C40H68N2O31/c1-9(48)41-17-23(54)31(14(6-46)64-35(17)62)70-36-18(42-10(2)49)24(55)32(15(7-47)68-36)71-39-30(61)33(22(53)16(69-39)8-63-37-28(59)25(56)19(50)11(3-43)65-37)72-40-34(27(58)21(52)13(5-45)67-40)73-38-29(60)26(57)20(51)12(4-44)66-38/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,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-/m1/s1 > FSKWKXPGYOFNTQ-MXDIEMFSSA-N $$$$