CDK 0407202300 74 79 0 0 0 0 0 0 0 0999 V2000 7.7331 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 9.5000 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 12.0632 2.0000 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 7.7331 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 8.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33 1 1 1 0 0 0 37 1 1 1 0 0 0 34 2 1 1 0 0 0 40 2 1 1 0 0 0 3 37 1 0 0 0 0 3 44 1 0 0 0 0 4 40 1 0 0 0 0 4 46 1 0 0 0 0 5 45 1 0 0 0 0 5 48 1 0 0 0 0 38 6 1 6 0 0 0 54 6 1 6 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 51 8 1 6 0 0 0 8 53 1 0 0 0 0 47 9 1 1 0 0 0 58 9 1 1 0 0 0 35 10 1 6 0 0 0 39 11 1 1 0 0 0 41 12 1 1 0 0 0 42 13 1 1 0 0 0 14 54 1 0 0 0 0 14 61 1 0 0 0 0 15 48 1 0 0 0 0 50 16 1 6 0 0 0 17 58 1 0 0 0 0 17 66 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 57 20 1 6 0 0 0 59 21 1 1 0 0 0 60 22 1 1 0 0 0 62 23 1 1 0 0 0 24 63 1 0 0 0 0 64 25 1 6 0 0 0 65 26 1 6 0 0 0 27 67 2 0 0 0 0 28 68 2 0 0 0 0 29 70 2 0 0 0 0 36 30 1 6 0 0 0 30 67 1 0 0 0 0 43 31 1 6 0 0 0 31 68 1 0 0 0 0 49 32 1 1 0 0 0 32 70 1 0 0 0 0 33 35 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 34 43 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 38 39 1 0 0 0 0 38 44 1 0 0 0 0 41 46 1 0 0 0 0 42 45 1 0 0 0 0 43 48 1 0 0 0 0 44 55 1 1 0 0 0 45 53 1 1 0 0 0 46 56 1 1 0 0 0 47 50 1 0 0 0 0 47 52 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 52 63 1 6 0 0 0 54 57 1 0 0 0 0 57 59 1 0 0 0 0 58 62 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 69 1 1 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 71 1 6 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 74 1 0 0 0 0 M END > CHEBI:148901 > N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(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-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-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]/1-2-3-4-3-4/a3-b1_a6-e1_b3-c1_c4-d1_e4-f1; Fuc(a1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-4)GlcNAc(b1-6)]GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose > C42H71N3O29 > 1082.022 > 1081.41732 > 0 > O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2NC(=O)C)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@H](O)[C@H]3NC(=O)C)CO)O[C@@H]([C@@H]1O)CO)[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)[C@H](O)[C@H]5NC(=O)C)CO > InChI=1S/C42H71N3O29/c1-10-22(52)28(58)30(60)40(65-10)71-33-16(7-47)69-38(19(26(33)56)43-12(3)49)64-9-18-25(55)35(21(37(63)67-18)45-14(5)51)73-42-32(62)36(24(54)15(6-46)68-42)74-39-20(44-13(4)50)27(57)34(17(8-48)70-39)72-41-31(61)29(59)23(53)11(2)66-41/h10-11,15-42,46-48,52-63H,6-9H2,1-5H3,(H,43,49)(H,44,50)(H,45,51)/t10-,11-,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-/m0/s1 > OWEVCGAYLKWIES-HQCMGDBGSA-N $$$$