CDK 0602202300 71 76 0 0 0 0 0 0 0 0999 V2000 7.7331 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4292 4.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 3.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 2.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 5.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 3.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 3.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 4.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1010 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9292 3.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4292 2.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -5.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4292 2.5390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 3.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4292 4.2710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 5.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32 1 1 1 0 0 0 37 1 1 1 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 33 3 1 6 0 0 0 45 3 1 6 0 0 0 36 4 1 1 0 0 0 4 48 1 0 0 0 0 5 37 1 0 0 0 0 5 44 1 0 0 0 0 38 6 1 6 0 0 0 52 6 1 1 0 0 0 7 40 1 0 0 0 0 7 50 1 0 0 0 0 42 8 1 1 0 0 0 56 8 1 6 0 0 0 9 45 1 0 0 0 0 9 54 1 0 0 0 0 39 10 1 1 0 0 0 11 52 1 0 0 0 0 11 61 1 0 0 0 0 41 12 1 1 0 0 0 43 13 1 1 0 0 0 14 56 1 0 0 0 0 14 65 1 0 0 0 0 15 47 1 0 0 0 0 49 16 1 6 0 0 0 17 50 1 0 0 0 0 51 18 1 1 0 0 0 53 19 1 1 0 0 0 55 20 1 1 0 0 0 21 57 1 0 0 0 0 58 22 1 6 0 0 0 59 23 1 1 0 0 0 60 24 1 6 0 0 0 62 25 1 6 0 0 0 64 26 1 6 0 0 0 27 63 2 0 0 0 0 28 68 1 0 0 0 0 29 70 2 0 0 0 0 34 30 1 6 0 0 0 30 63 1 0 0 0 0 46 31 1 6 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 47 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 41 1 0 0 0 0 40 43 1 0 0 0 0 40 48 1 1 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 44 57 1 1 0 0 0 45 49 1 0 0 0 0 46 50 1 0 0 0 0 49 51 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 54 66 1 1 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 61 67 1 6 0 0 0 62 64 1 0 0 0 0 63 69 1 0 0 0 0 64 65 1 0 0 0 0 65 68 1 6 0 0 0 70 71 1 0 0 0 0 M END > CHEBI:152772 > N-[(3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,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)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide > 2 > WURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-4/a3-b1_a6-c1_c3-d1_c4-f1_d2-e1; Fuc(a1-2)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-6)[Gal(b1-3)]GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose > C40H68N2O29 > 1040.969 > 1040.39077 > 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](O[C@@H](OC[C@H]3OC(O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)[C@@H]1NC(=O)C)CO)[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO > InChI=1S/C40H68N2O29/c1-9-19(48)24(53)28(57)37(62-9)68-31-15(7-45)67-36(61-8-16-23(52)32(17(35(60)64-16)41-11(3)46)69-39-30(59)26(55)21(50)13(5-43)65-39)18(42-12(4)47)33(31)70-40-34(27(56)22(51)14(6-44)66-40)71-38-29(58)25(54)20(49)10(2)63-38/h9-10,13-40,43-45,48-60H,5-8H2,1-4H3,(H,41,46)(H,42,47)/t9-,10-,13+,14+,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-/m0/s1 > PDXZBKPNCOTALI-PCCLJPNKSA-N $$$$