CDK 0317202301 118126 0 0 0 0 0 0 0 0999 V2000 10.3312 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 0.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3640 2.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4980 -2.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1908 0.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6908 0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3184 1.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3518 -4.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6344 3.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4524 -2.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7683 -4.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1908 -1.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2259 -6.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3075 4.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1908 0.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7706 -7.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1256 -4.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1908 1.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 -5.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4937 0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6908 -2.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5576 -6.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.8257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1668 -0.8271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1908 -1.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0575 -4.8019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.1743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 0.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 1.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 1.8256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 3.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 4.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7060 1.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.8257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6908 0.9181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.8256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8400 -1.9404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.6744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 4.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -1.6744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8248 -1.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.1744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.6744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3336 1.6841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9916 2.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.6744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4676 -2.5328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0068 2.7974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1256 -3.4725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1407 -3.6461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 4.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1908 0.0520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 -4.1592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6908 -0.8140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 3.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.6744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0575 -4.8019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 4.8257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6908 -0.8140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 2.8256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8839 -5.7867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6648 3.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1908 0.0520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6908 0.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9443 -6.1288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1782 -5.4860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.6744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1408 -4.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 3.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1908 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2385 -5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1516 -0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6908 -2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5575 -5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7944 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1908 -3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5575 -5.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 1 57 1 0 0 0 0 54 2 1 1 0 0 0 60 2 1 1 0 0 0 53 3 1 6 0 0 0 65 3 1 1 0 0 0 57 4 1 1 0 0 0 58 4 1 6 0 0 0 5 61 1 0 0 0 0 68 5 1 6 0 0 0 6 64 1 0 0 0 0 6 67 1 0 0 0 0 7 60 1 0 0 0 0 7 76 1 0 0 0 0 8 68 1 0 0 0 0 8 74 1 0 0 0 0 56 9 1 1 0 0 0 10 65 1 0 0 0 0 10 78 1 0 0 0 0 63 11 1 6 0 0 0 80 11 1 6 0 0 0 67 12 1 1 0 0 0 79 12 1 1 0 0 0 66 13 1 1 0 0 0 82 13 1 1 0 0 0 71 14 1 6 0 0 0 85 14 1 1 0 0 0 59 15 1 1 0 0 0 16 80 1 0 0 0 0 16 96 1 0 0 0 0 70 17 1 1 0 0 0 72 18 1 6 0 0 0 19 82 1 0 0 0 0 19 98 1 0 0 0 0 20 85 1 0 0 0 0 20101 1 0 0 0 0 21 87 1 0 0 0 0 21102 1 0 0 0 0 73 22 1 1 0 0 0 75 23 1 1 0 0 0 77 24 1 6 0 0 0 25 81 1 0 0 0 0 84 26 1 6 0 0 0 89 27 1 6 0 0 0 91 28 1 1 0 0 0 29 92 1 0 0 0 0 94 30 1 1 0 0 0 31 93 1 0 0 0 0 95 32 1 1 0 0 0 97 33 1 6 0 0 0 99 34 1 6 0 0 0 35100 1 0 0 0 0 36102 1 0 0 0 0 37103 1 0 0 0 0 38105 1 0 0 0 0 39106 1 0 0 0 0 40104 2 0 0 0 0 41108 1 0 0 0 0 42107 2 0 0 0 0 43110 2 0 0 0 0 44111 2 0 0 0 0 45112 2 0 0 0 0 46114 2 0 0 0 0 62 47 1 6 0 0 0 47104 1 0 0 0 0 69 48 1 6 0 0 0 48107 1 0 0 0 0 83 49 1 1 0 0 0 49110 1 0 0 0 0 86 50 1 6 0 0 0 50111 1 0 0 0 0 88 51 1 6 0 0 0 51112 1 0 0 0 0 90 52 1 1 0 0 0 52114 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 55 61 1 1 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 58 64 1 0 0 0 0 59 62 1 0 0 0 0 60 63 1 0 0 0 0 62 67 1 0 0 0 0 63 72 1 0 0 0 0 64 81 1 1 0 0 0 65 69 1 0 0 0 0 66 68 1 0 0 0 0 66 70 1 0 0 0 0 69 75 1 0 0 0 0 70 71 1 0 0 0 0 71 74 1 0 0 0 0 72 73 1 0 0 0 0 73 76 1 0 0 0 0 74 92 1 1 0 0 0 75 77 1 0 0 0 0 76 93 1 6 0 0 0 77 78 1 0 0 0 0 78100 1 1 0 0 0 79 84 1 0 0 0 0 79 87 1 0 0 0 0 80 83 1 0 0 0 0 82 86 1 0 0 0 0 83 89 1 0 0 0 0 84 90 1 0 0 0 0 85 88 1 0 0 0 0 86 91 1 0 0 0 0 87103 1 6 0 0 0 88 94 1 0 0 0 0 89 95 1 0 0 0 0 90102 1 0 0 0 0 91 97 1 0 0 0 0 94 99 1 0 0 0 0 95 96 1 0 0 0 0 96105 1 6 0 0 0 97 98 1 0 0 0 0 98106 1 1 0 0 0 99101 1 0 0 0 0 101108 1 1 0 0 0 104109 1 0 0 0 0 107113 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114118 1 0 0 0 0 M END > CHEBI:147197 > N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,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]oxy-6-[[(2S,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/4,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-2-4-2-2/a4-b1_b4-c1_c3-d1_c4-f1_c6-g1_d2-e1_g2-h1_g4-i1; GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAc; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose > C66H110N6O46 > 1723.602 > 1722.64527 > 0 > O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H](O)[C@@H]1O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO)O)CO[C@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8NC(=O)C)CO)[C@H](O)[C@@H]7O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9NC(=O)C)CO)CO > InChI=1S/C66H110N6O46/c1-16(81)67-31-46(96)51(27(12-78)103-58(31)101)112-63-36(72-21(6)86)47(97)52(28(13-79)109-63)114-64-50(100)55(116-66-56(48(98)41(91)26(11-77)108-66)117-61-34(70-19(4)84)44(94)39(89)24(9-75)106-61)54(115-60-33(69-18(3)83)43(93)38(88)23(8-74)105-60)30(111-64)15-102-65-57(118-62-35(71-20(5)85)45(95)40(90)25(10-76)107-62)49(99)53(29(14-80)110-65)113-59-32(68-17(2)82)42(92)37(87)22(7-73)104-59/h22-66,73-80,87-101H,7-15H2,1-6H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,85)(H,72,86)/t22-,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-/m1/s1 > YRUDCVMLUIOYDR-IOVPLSQSSA-N $$$$