CDK 1006202310 103111 0 0 0 0 0 0 0 0999 V2000 12.9292 3.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -5.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8933 -1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -6.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -6.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3933 -4.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9292 5.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3933 -4.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 7.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3933 -2.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9292 9.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -6.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -8.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -9.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.3455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.6545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 -1.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 5.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 -0.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 -2.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 5.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 1.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 -0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 3.6545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -1.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 2.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 5.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 2.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 0.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 5.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 -3.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 -4.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 5.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 4.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3933 -2.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4292 6.5205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -5.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -4.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 5.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.6545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -3.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8933 -3.2115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4292 6.5205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8933 -3.2115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9292 7.3865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3933 -2.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4292 8.2526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8933 -1.4795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4292 8.2526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 5.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -6.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3933 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 7.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -6.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 5.6545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 4.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 -7.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -8.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -7.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 5.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3933 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 9.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 8.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -8.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46 1 1 6 0 0 0 58 1 1 1 0 0 0 52 2 1 1 0 0 0 53 2 1 1 0 0 0 3 53 1 0 0 0 0 3 55 1 0 0 0 0 4 54 1 0 0 0 0 4 57 1 0 0 0 0 50 5 1 6 0 0 0 62 5 1 1 0 0 0 47 6 1 1 0 0 0 66 6 1 6 0 0 0 48 7 1 1 0 0 0 67 7 1 6 0 0 0 8 58 1 0 0 0 0 8 60 1 0 0 0 0 57 9 1 1 0 0 0 61 9 1 1 0 0 0 10 62 1 0 0 0 0 10 74 1 0 0 0 0 56 11 1 6 0 0 0 12 72 1 0 0 0 0 12 73 1 0 0 0 0 59 13 1 1 0 0 0 63 14 1 6 0 0 0 85 14 1 1 0 0 0 15 66 1 0 0 0 0 15 82 1 0 0 0 0 16 67 1 0 0 0 0 16 83 1 0 0 0 0 72 17 1 1 0 0 0 84 17 1 6 0 0 0 64 18 1 6 0 0 0 65 19 1 1 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 70 22 1 1 0 0 0 71 23 1 1 0 0 0 24 85 1 0 0 0 0 24 95 1 0 0 0 0 75 25 1 6 0 0 0 76 26 1 6 0 0 0 27 77 1 0 0 0 0 78 28 1 1 0 0 0 79 29 1 1 0 0 0 30 92 1 0 0 0 0 30 99 1 0 0 0 0 80 31 1 1 0 0 0 81 32 1 1 0 0 0 33 87 1 0 0 0 0 34 89 1 0 0 0 0 90 35 1 1 0 0 0 91 36 1 1 0 0 0 37 86 2 0 0 0 0 93 38 1 6 0 0 0 39 88 2 0 0 0 0 94 40 1 6 0 0 0 96 41 1 6 0 0 0 99 42 1 1 0 0 0 43102 1 0 0 0 0 49 44 1 6 0 0 0 44 86 1 0 0 0 0 51 45 1 6 0 0 0 45 88 1 0 0 0 0 46 48 1 0 0 0 0 46 54 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 48 51 1 0 0 0 0 49 53 1 0 0 0 0 50 55 1 0 0 0 0 51 57 1 0 0 0 0 52 56 1 0 0 0 0 52 59 1 0 0 0 0 54 68 1 1 0 0 0 55 69 1 1 0 0 0 56 58 1 0 0 0 0 59 60 1 0 0 0 0 60 77 1 1 0 0 0 61 64 1 0 0 0 0 61 65 1 0 0 0 0 62 63 1 0 0 0 0 63 70 1 0 0 0 0 64 72 1 0 0 0 0 65 73 1 0 0 0 0 66 75 1 0 0 0 0 67 76 1 0 0 0 0 70 71 1 0 0 0 0 71 74 1 0 0 0 0 73 87 1 1 0 0 0 74 89 1 1 0 0 0 75 78 1 0 0 0 0 76 79 1 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 80 82 1 0 0 0 0 81 83 1 0 0 0 0 82 97 1 1 0 0 0 83 98 1 1 0 0 0 84 91 1 0 0 0 0 84 92 1 0 0 0 0 85 90 1 0 0 0 0 86100 1 0 0 0 0 88101 1 0 0 0 0 90 93 1 0 0 0 0 91 96 1 0 0 0 0 92102 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95103 1 6 0 0 0 96 99 1 0 0 0 0 M END > CHEBI:156637 > N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide > 2 > WURCS=2.0/4,9,8/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-3-4-2-4/a4-b1_b3-c1_c3-d1_c4-e1_e3-f1_f3-g1_f4-h1_h2-i1; Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)b-Glc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose > C58H98N2O43 > 1511.393 > 1510.55433 > 0 > O([C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]4CO)O)[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)CO)[C@H](O[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)[C@H]6NC(=O)C)CO)[C@H]5O)CO > InChI=1S/C58H98N2O43/c1-12-25(69)31(75)37(81)53(87-12)99-45-23(59-15(4)67)51(101-47-29(73)18(7-62)91-56(40(47)84)96-42-20(9-64)90-50(86)36(80)35(42)79)94-21(10-65)43(45)97-57-41(85)48(30(74)19(8-63)92-57)102-52-24(60-16(5)68)46(100-54-38(82)32(76)26(70)13(2)88-54)44(22(11-66)95-52)98-58-49(34(78)28(72)17(6-61)93-58)103-55-39(83)33(77)27(71)14(3)89-55/h12-14,17-58,61-66,69-86H,6-11H2,1-5H3,(H,59,67)(H,60,68)/t12-,13-,14-,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-/m0/s1 > CQENIIDZROAGCA-CAURGBPASA-N $$$$