CDK 0605202312 72 77 0 0 0 0 0 0 0 0999 V2000 7.7331 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 -5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7027 -3.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 -5.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3043 -6.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 5.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -3.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 5.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 4.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3760 -4.6110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 5.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -6.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3607 -4.4374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0035 -5.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -6.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6615 -6.1431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -5.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6767 -6.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 5.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 5.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 5.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 4.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 3.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 -7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35 1 1 1 0 0 0 36 1 1 1 0 0 0 2 36 1 0 0 0 0 2 40 1 0 0 0 0 33 3 1 6 0 0 0 46 3 1 1 0 0 0 34 4 1 1 0 0 0 47 4 1 6 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 42 6 1 6 0 0 0 6 51 1 0 0 0 0 7 44 1 0 0 0 0 7 54 1 0 0 0 0 37 8 1 1 0 0 0 43 9 1 1 0 0 0 61 9 1 1 0 0 0 10 47 1 0 0 0 0 10 59 1 0 0 0 0 38 11 1 6 0 0 0 12 46 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 13 65 1 0 0 0 0 45 14 1 1 0 0 0 49 15 1 6 0 0 0 50 16 1 1 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 55 20 1 1 0 0 0 56 21 1 6 0 0 0 57 22 1 1 0 0 0 58 23 1 6 0 0 0 62 24 1 6 0 0 0 63 25 1 1 0 0 0 64 26 1 1 0 0 0 27 66 1 0 0 0 0 28 68 2 0 0 0 0 29 69 1 0 0 0 0 30 70 2 0 0 0 0 39 31 1 1 0 0 0 31 68 1 0 0 0 0 48 32 1 6 0 0 0 32 70 1 0 0 0 0 33 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 35 41 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 39 42 1 0 0 0 0 40 52 1 1 0 0 0 41 53 1 6 0 0 0 43 45 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 51 1 1 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 48 54 1 0 0 0 0 49 55 1 0 0 0 0 50 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 66 1 1 0 0 0 60 67 1 6 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 69 1 1 0 0 0 68 71 1 0 0 0 0 70 72 1 0 0 0 0 M END > CHEBI:154993 > N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/5,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-2-4-5/a3-b1_a6-c1_c4-d1_d2-e1_d3-f1; Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-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 > C40H68N2O30 > 1056.968 > 1056.38569 > 0 > O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H]4O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO > InChI=1S/C40H68N2O30/c1-9-19(49)25(55)28(58)37(63-9)72-34-33(71-39-30(60)27(57)21(51)13(5-44)66-39)22(52)14(6-45)67-40(34)69-31-15(7-46)68-36(17(24(31)54)41-10(2)47)62-8-16-23(53)32(18(35(61)64-16)42-11(3)48)70-38-29(59)26(56)20(50)12(4-43)65-38/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,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 > ZMKRHNCEAKAOMX-QWRLGUBGSA-N $$$$