CDK 0407202300 122131 0 0 0 0 0 0 0 0999 V2000 12.0632 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.4050 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 10.3312 5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.4050 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 17.2594 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 9.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -8.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -9.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -8.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9050 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 14.6613 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 9.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 8.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 3.9050 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 12.0632 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5273 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 4.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 4.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3933 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3933 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3933 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 6.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3933 1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 -2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 2.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -4.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 7.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -5.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 8.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -4.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -7.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8574 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -5.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -8.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -8.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -8.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -7.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 6.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.4050 0.0000 C 0 0 2 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 17.2594 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 9.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56 1 1 1 0 0 0 59 1 1 1 0 0 0 55 2 1 1 0 0 0 64 2 1 1 0 0 0 3 59 1 0 0 0 0 3 60 1 0 0 0 0 4 65 1 0 0 0 0 4 66 1 0 0 0 0 63 5 1 6 0 0 0 69 5 1 6 0 0 0 66 6 1 6 0 0 0 70 6 1 6 0 0 0 7 64 1 0 0 0 0 7 74 1 0 0 0 0 8 69 1 0 0 0 0 8 77 1 0 0 0 0 9 75 1 0 0 0 0 80 9 1 6 0 0 0 76 10 1 1 0 0 0 83 10 1 1 0 0 0 57 11 1 1 0 0 0 58 12 1 6 0 0 0 61 13 1 6 0 0 0 73 14 1 1 0 0 0 93 14 1 1 0 0 0 15 80 1 0 0 0 0 15 90 1 0 0 0 0 16 79 1 0 0 0 0 16 91 1 0 0 0 0 17 83 1 0 0 0 0 17 89 1 0 0 0 0 67 18 1 6 0 0 0 85 19 1 6 0 0 0 97 19 1 6 0 0 0 71 20 1 1 0 0 0 72 21 1 6 0 0 0 78 22 1 1 0 0 0 23 93 1 0 0 0 0 23103 1 0 0 0 0 82 24 1 1 0 0 0 86 25 1 1 0 0 0 26 94 1 0 0 0 0 108 26 1 6 0 0 0 27 87 1 0 0 0 0 88 28 1 6 0 0 0 29 97 1 0 0 0 0 29107 1 0 0 0 0 91 30 1 1 0 0 0 31 92 1 0 0 0 0 32 95 1 0 0 0 0 96 33 1 6 0 0 0 34108 1 0 0 0 0 34116 1 0 0 0 0 98 35 1 1 0 0 0 36 99 1 0 0 0 0 100 37 1 1 0 0 0 101 38 1 1 0 0 0 39102 1 0 0 0 0 105 40 1 6 0 0 0 106 41 1 6 0 0 0 42104 2 0 0 0 0 110 43 1 1 0 0 0 44109 2 0 0 0 0 111 45 1 6 0 0 0 46112 1 0 0 0 0 114 47 1 6 0 0 0 48113 2 0 0 0 0 49118 1 0 0 0 0 50115 2 0 0 0 0 62 51 1 1 0 0 0 51104 1 0 0 0 0 68 52 1 1 0 0 0 52109 1 0 0 0 0 81 53 1 6 0 0 0 53113 1 0 0 0 0 84 54 1 6 0 0 0 54115 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 56 61 1 0 0 0 0 56 65 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 60 75 1 1 0 0 0 61 62 1 0 0 0 0 62 66 1 0 0 0 0 63 64 1 0 0 0 0 63 67 1 0 0 0 0 65 87 1 6 0 0 0 67 71 1 0 0 0 0 68 69 1 0 0 0 0 68 72 1 0 0 0 0 70 78 1 0 0 0 0 70 79 1 0 0 0 0 71 74 1 0 0 0 0 72 73 1 0 0 0 0 73 77 1 0 0 0 0 74 92 1 6 0 0 0 76 80 1 0 0 0 0 76 82 1 0 0 0 0 77 95 1 6 0 0 0 78 84 1 0 0 0 0 79 94 1 1 0 0 0 81 83 1 0 0 0 0 81 86 1 0 0 0 0 82 88 1 0 0 0 0 84 91 1 0 0 0 0 85 86 1 0 0 0 0 85 89 1 0 0 0 0 88 90 1 0 0 0 0 89 99 1 1 0 0 0 90102 1 1 0 0 0 93 96 1 0 0 0 0 96 98 1 0 0 0 0 97101 1 0 0 0 0 98100 1 0 0 0 0 100103 1 0 0 0 0 101105 1 0 0 0 0 103112 1 1 0 0 0 104117 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107118 1 6 0 0 0 108110 1 0 0 0 0 109119 1 0 0 0 0 110111 1 0 0 0 0 111114 1 0 0 0 0 113120 1 0 0 0 0 114116 1 0 0 0 0 115121 1 0 0 0 0 116122 1 6 0 0 0 M END > CHEBI:148734 > N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide > 2 > WURCS=2.0/5,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1b_1-5]/1-1-2-3-1-4-3-1-4-5/a4-b1_a6-j1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h4-i1; Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(b1-6)]b-GlcNAc; beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-beta-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose > C68H114N4O50 > 1787.638 > 1786.65008 > 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[C@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO > InChI=1S/C68H114N4O50/c1-15-33(84)43(94)48(99)63(106-15)104-14-28-55(39(90)29(59(103)107-28)69-16(2)80)116-60-30(70-17(3)81)40(91)54(26(12-79)112-60)119-66-51(102)56(120-68-58(47(98)37(88)23(9-76)111-68)122-62-32(72-19(5)83)42(93)53(25(11-78)114-62)118-65-50(101)45(96)35(86)21(7-74)109-65)38(89)27(115-66)13-105-67-57(46(97)36(87)22(8-75)110-67)121-61-31(71-18(4)82)41(92)52(24(10-77)113-61)117-64-49(100)44(95)34(85)20(6-73)108-64/h15,20-68,73-79,84-103H,6-14H2,1-5H3,(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t15-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68+/m0/s1 > WWOGFSBVRNWZBV-UJVVPUMXSA-N $$$$