CDK 0407202300 112120 0 0 0 0 0 0 0 0999 V2000 12.0632 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2953 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 3.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7953 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2953 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 6.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7953 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 4.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2953 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7953 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2953 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2953 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 7.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7953 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7953 2.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 5.8795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7953 -0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7953 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2953 1.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2953 1.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2953 0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7953 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8823 4.1737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5403 5.1135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2953 0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5555 5.2872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2953 0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9127 4.5211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7953 -0.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7953 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 3.5814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7953 -0.7321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2953 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7953 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 2.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2953 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 6.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7953 4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2953 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 6.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2953 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 56 1 0 0 0 0 1 58 1 0 0 0 0 57 2 1 1 0 0 0 58 2 1 1 0 0 0 51 3 1 1 0 0 0 65 3 1 6 0 0 0 4 61 1 0 0 0 0 4 63 1 0 0 0 0 53 5 1 1 0 0 0 70 5 1 6 0 0 0 6 64 1 0 0 0 0 6 66 1 0 0 0 0 63 7 1 1 0 0 0 7 68 1 0 0 0 0 55 8 1 6 0 0 0 76 8 1 6 0 0 0 66 9 1 6 0 0 0 73 9 1 1 0 0 0 10 65 1 0 0 0 0 10 74 1 0 0 0 0 67 11 1 1 0 0 0 79 11 1 1 0 0 0 52 12 1 6 0 0 0 54 13 1 1 0 0 0 14 70 1 0 0 0 0 14 83 1 0 0 0 0 59 15 1 6 0 0 0 60 16 1 6 0 0 0 17 76 1 0 0 0 0 17 90 1 0 0 0 0 18 75 1 0 0 0 0 95 18 1 6 0 0 0 19 79 1 0 0 0 0 19 92 1 0 0 0 0 20 81 1 0 0 0 0 20 93 1 0 0 0 0 69 21 1 1 0 0 0 71 22 1 6 0 0 0 77 23 1 6 0 0 0 78 24 1 6 0 0 0 80 25 1 1 0 0 0 26 82 1 0 0 0 0 27 95 1 0 0 0 0 27103 1 0 0 0 0 85 28 1 1 0 0 0 87 29 1 1 0 0 0 88 30 1 1 0 0 0 89 31 1 6 0 0 0 91 32 1 6 0 0 0 33 93 1 0 0 0 0 34 94 1 0 0 0 0 35 96 1 0 0 0 0 36 97 1 0 0 0 0 98 37 1 1 0 0 0 99 38 1 1 0 0 0 101 39 1 6 0 0 0 40102 1 0 0 0 0 41104 1 0 0 0 0 42100 2 0 0 0 0 43105 2 0 0 0 0 44106 1 0 0 0 0 45108 2 0 0 0 0 46109 2 0 0 0 0 62 47 1 1 0 0 0 47100 1 0 0 0 0 72 48 1 1 0 0 0 48105 1 0 0 0 0 84 49 1 6 0 0 0 49108 1 0 0 0 0 86 50 1 1 0 0 0 50109 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 0 0 0 0 52 56 1 0 0 0 0 53 55 1 0 0 0 0 53 61 1 0 0 0 0 54 58 1 0 0 0 0 55 60 1 0 0 0 0 56 68 1 1 0 0 0 57 59 1 0 0 0 0 57 64 1 0 0 0 0 59 62 1 0 0 0 0 60 63 1 0 0 0 0 61 75 1 6 0 0 0 62 66 1 0 0 0 0 64 82 1 6 0 0 0 65 67 1 0 0 0 0 67 69 1 0 0 0 0 69 71 1 0 0 0 0 70 72 1 0 0 0 0 71 74 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 73 81 1 0 0 0 0 74 94 1 1 0 0 0 76 85 1 0 0 0 0 77 80 1 0 0 0 0 78 86 1 0 0 0 0 79 84 1 0 0 0 0 80 83 1 0 0 0 0 81 96 1 6 0 0 0 83 97 1 6 0 0 0 84 88 1 0 0 0 0 85 87 1 0 0 0 0 86 93 1 0 0 0 0 87 89 1 0 0 0 0 88 91 1 0 0 0 0 89 90 1 0 0 0 0 90102 1 1 0 0 0 91 92 1 0 0 0 0 92104 1 1 0 0 0 95 98 1 0 0 0 0 98 99 1 0 0 0 0 99101 1 0 0 0 0 100107 1 0 0 0 0 101103 1 0 0 0 0 103106 1 1 0 0 0 105110 1 0 0 0 0 108111 1 0 0 0 0 109112 1 0 0 0 0 M END > CHEBI:148964 > N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-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,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-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]/1-2-3-4-2-4-4-2-4/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f3-g1_f4-h1_f6-i1; GlcNAc(b1-2)Man(a1-3)[Man(a1-3)[GlcNAc(b1-4)][Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)][alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose > C62H104N4O46 > 1641.496 > 1640.59217 > 0 > O1[C@@H]([C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)CO)[C@H](O)[C@@H]1O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]5CO)O)CO[C@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO)[C@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@@H]6O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO > InChI=1S/C62H104N4O46/c1-14(74)63-27-39(86)48(23(10-72)98-54(27)95)107-57-30(66-17(4)77)40(87)49(24(11-73)104-57)108-61-46(93)51(110-62-53(43(90)35(82)22(9-71)103-62)112-56-29(65-16(3)76)38(85)32(79)19(6-68)100-56)36(83)25(105-61)12-96-59-47(94)52(111-60-45(92)42(89)34(81)21(8-70)102-60)50(109-55-28(64-15(2)75)37(84)31(78)18(5-67)99-55)26(106-59)13-97-58-44(91)41(88)33(80)20(7-69)101-58/h18-62,67-73,78-95H,5-13H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t18-,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+,59+,60-,61+,62-/m1/s1 > YJNVENJNJVHNPQ-VFHMCJIJSA-N $$$$