CDK 1006202310 64 68 0 0 0 0 0 0 0 0999 V2000 8.5991 -0.4050 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 6.8671 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4050 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 5.1350 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 -4.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.5950 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 5.1350 -6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -2.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 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 11.8543 -3.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1703 -5.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.5950 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 6.0010 -6.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.4050 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 7.7331 -1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.9050 0.0000 C 0 0 2 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 9.4651 2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.9050 0.0000 C 0 0 1 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 10.3312 3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -4.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2420 -3.1710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 4.0950 0.0000 C 0 0 2 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 2 0 0 0 0 0 0 0 0 0 10.2267 -2.9974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 C 0 0 0 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 6.8671 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8695 -3.7634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5276 -4.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5427 -4.8768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.4050 0.0000 C 0 0 0 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 11.1972 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2007 -5.8165 0.0000 C 0 0 0 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 12.9292 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30 1 1 1 0 0 0 32 1 1 1 0 0 0 2 32 1 0 0 0 0 2 37 1 0 0 0 0 31 3 1 1 0 0 0 40 3 1 6 0 0 0 4 36 1 0 0 0 0 4 38 1 0 0 0 0 29 5 1 6 0 0 0 43 5 1 1 0 0 0 36 6 1 1 0 0 0 39 6 1 1 0 0 0 7 40 1 0 0 0 0 7 48 1 0 0 0 0 34 8 1 1 0 0 0 35 9 1 6 0 0 0 10 43 1 0 0 0 0 10 55 1 0 0 0 0 11 50 1 0 0 0 0 11 52 1 0 0 0 0 44 12 1 1 0 0 0 45 13 1 1 0 0 0 46 14 1 1 0 0 0 47 15 1 1 0 0 0 16 49 1 0 0 0 0 17 51 1 0 0 0 0 52 18 1 1 0 0 0 53 19 1 6 0 0 0 54 20 1 6 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 2 0 0 0 0 24 60 2 0 0 0 0 25 61 2 0 0 0 0 33 26 1 6 0 0 0 26 58 1 0 0 0 0 41 27 1 6 0 0 0 27 60 1 0 0 0 0 42 28 1 6 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 35 1 0 0 0 0 31 34 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 37 49 1 1 0 0 0 38 51 1 1 0 0 0 39 42 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 41 45 1 0 0 0 0 42 52 1 0 0 0 0 43 47 1 0 0 0 0 44 50 1 0 0 0 0 45 46 1 0 0 0 0 46 48 1 0 0 0 0 47 53 1 0 0 0 0 48 56 1 1 0 0 0 50 57 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 59 1 6 0 0 0 58 62 1 0 0 0 0 60 63 1 0 0 0 0 61 64 1 0 0 0 0 M END > CHEBI:156939 > N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/5,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_b3-c1_c2-d1_c3-e1; Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GlcNAc(b1-3)b-GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose > C36H61N3O25 > 935.880 > 935.35941 > 0 > O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]2O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO > InChI=1S/C36H61N3O25/c1-9-20(47)26(53)27(54)35(56-9)64-31-30(63-33-17(37-10(2)44)25(52)21(48)13(5-40)58-33)24(51)16(8-43)60-36(31)62-29-19(39-12(4)46)34(59-15(7-42)23(29)50)61-28-18(38-11(3)45)32(55)57-14(6-41)22(28)49/h9,13-36,40-43,47-55H,5-8H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-/m0/s1 > OLNRCFRJPSGCQG-QYQWOZHISA-N $$$$