Mrv0541 08081415552D 106114 0 0 0 0 999 V2000 10.8212 -13.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5359 -11.9286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5359 -12.7536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8212 -11.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8212 -13.1661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1068 -11.9286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1068 -12.7536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2503 -11.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2503 -13.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3924 -13.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3924 -11.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3937 -10.2786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3937 -11.1036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6792 -9.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -11.5161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9647 -10.2786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9647 -11.1036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1082 -9.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1082 -11.5161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6791 -12.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2503 -9.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5359 -10.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 -8.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 -9.4536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5371 -8.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5371 -9.8661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8227 -8.6286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8227 -9.4536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9661 -8.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9661 -9.8661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5371 -10.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1082 -8.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3937 -8.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1081 -12.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8226 -12.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9661 -10.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6805 -11.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3937 -12.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2516 -11.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3924 -10.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1067 -14.4036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1067 -15.2286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3923 -13.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 -15.6411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6778 -14.4036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6778 -15.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8212 -15.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3922 -16.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9634 -15.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9634 -13.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6779 -10.2786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9635 -10.6910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6779 -9.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -10.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9635 -9.0410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2490 -9.4535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9635 -11.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5345 -10.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 -9.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9635 -8.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 -7.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 -6.9785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5346 -6.5660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9636 -6.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 -5.7409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9636 -5.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2491 -5.3284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8202 -6.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 -5.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 -4.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -5.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 -4.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -10.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1056 -10.6909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8200 -9.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 -10.2783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1056 -9.0409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3911 -9.4534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1055 -11.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 -10.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 -9.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -8.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2488 -14.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8201 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 -6.5659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3912 -6.9785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1057 -5.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 -6.5660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3912 -5.3284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6767 -5.7409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3912 -7.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 -6.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 -5.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 -4.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 -4.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8212 -16.4662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5356 -16.8787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1067 -16.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5356 -17.7037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1067 -17.7036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8212 -18.1161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2501 -16.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2501 -18.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8212 -18.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3922 -18.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3922 -18.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 1 0 0 0 3 9 1 1 0 0 0 5 1 1 1 0 0 0 7 10 1 6 0 0 0 6 11 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 12 18 1 1 0 0 0 13 19 1 6 0 0 0 15 20 1 1 0 0 0 17 8 1 6 0 0 0 16 21 1 1 0 0 0 22 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 6 0 0 0 26 31 1 1 0 0 0 28 18 1 6 0 0 0 27 32 1 1 0 0 0 33 32 1 0 0 0 0 19 34 1 0 0 0 0 34 35 1 0 0 0 0 30 36 1 0 0 0 0 36 37 1 0 0 0 0 34 38 2 0 0 0 0 36 39 2 0 0 0 0 11 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 46 1 0 0 0 0 41 1 1 6 0 0 0 42 47 1 1 0 0 0 44 48 1 1 0 0 0 46 49 1 6 0 0 0 45 50 1 1 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 55 56 1 0 0 0 0 51 40 1 6 0 0 0 52 57 1 1 0 0 0 54 58 1 1 0 0 0 56 59 1 6 0 0 0 55 60 1 1 0 0 0 61 60 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 67 1 0 0 0 0 62 61 1 6 0 0 0 63 68 1 1 0 0 0 65 69 1 1 0 0 0 67 70 1 6 0 0 0 66 71 1 1 0 0 0 72 71 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 75 77 1 0 0 0 0 76 78 1 0 0 0 0 77 78 1 0 0 0 0 73 58 1 6 0 0 0 74 79 1 1 0 0 0 76 80 1 1 0 0 0 78 81 1 6 0 0 0 77 82 1 1 0 0 0 50 83 1 0 0 0 0 82 84 1 0 0 0 0 85 86 1 0 0 0 0 85 87 1 0 0 0 0 86 88 1 0 0 0 0 87 89 1 0 0 0 0 88 90 1 0 0 0 0 89 90 1 0 0 0 0 86 91 1 1 0 0 0 88 92 1 1 0 0 0 90 93 1 6 0 0 0 89 94 1 1 0 0 0 95 94 1 0 0 0 0 85 68 1 6 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98100 1 0 0 0 0 99101 1 0 0 0 0 100101 1 0 0 0 0 97102 1 1 0 0 0 99103 1 1 0 0 0 101104 1 6 0 0 0 100105 1 1 0 0 0 106105 1 0 0 0 0 96 47 1 6 0 0 0 M END > CHEBI:82674 > alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc > An amino nonasaccharide that is the linear pentasaccharide α-D-Man-(1→2)-α-D-Man-(1→3)-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc in which the mannosyl residue nearest the reducing end has the branched tetrasaccharide α-D-Man-(1→3)-[α-D-Man-(1→2)-α-D-Man-(1→6)]-α-D-Man attached at position 6. > 3 > 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]/1-2-3-4-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f3-g1_f6-h1_h2-i1; alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine; alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc > alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose > C58H98N2O46 > 1559.38450 > 1558.53907 > 0 > CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O > InChI=1S/C58H98N2O46/c1-12(68)59-23-32(77)44(19(8-66)92-50(23)89)101-51-24(60-13(2)69)33(78)45(20(9-67)98-51)102-56-43(88)47(104-58-49(38(83)29(74)18(7-65)97-58)106-55-41(86)36(81)27(72)16(5-63)95-55)31(76)22(100-56)10-90-52-42(87)46(103-53-39(84)34(79)25(70)14(3-61)93-53)30(75)21(99-52)11-91-57-48(37(82)28(73)17(6-64)96-57)105-54-40(85)35(80)26(71)15(4-62)94-54/h14-58,61-67,70-89H,3-11H2,1-2H3,(H,59,68)(H,60,69)/t14-,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+,43+,44-,45-,46+,47+,48+,49+,50?,51+,52+,53-,54-,55-,56+,57+,58-/m1/s1 > LWZOTQFXKGNRCE-LHSPMWONSA-N > 5424037 > G00432 > 11415447; 11791722; 12361949; 7954510 $$$$