Marvin 10021214322D 71 76 0 0 1 0 999 V2000 9.4585 -27.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7441 -27.5669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4584 -28.8045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7439 -29.2168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0295 -28.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0296 -27.9793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7437 -30.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 -29.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3152 -27.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7442 -26.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1728 -29.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6016 -29.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3162 -28.8048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6015 -30.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8873 -28.8046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3162 -27.9798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8874 -27.9796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6018 -27.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0307 -27.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1729 -27.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0305 -29.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7451 -28.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4594 -29.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7452 -27.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 -26.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 -32.5170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3158 -32.1046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6015 -30.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8871 -31.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3159 -31.2797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8869 -32.1045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0303 -30.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0302 -32.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6014 -33.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1724 -32.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4581 -32.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 -25.5049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7453 -26.3299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0307 -25.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0307 -26.7424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3162 -25.5049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3162 -26.3299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4597 -25.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4597 -26.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6018 -26.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6018 -25.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8873 -25.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6032 -24.6800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8887 -25.0924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6032 -23.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1743 -24.6799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8887 -23.4424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1743 -23.8549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3177 -25.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8887 -25.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4598 -23.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8888 -22.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6031 -26.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6031 -27.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3177 -25.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6033 -22.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1744 -22.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1746 -21.3800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4599 -22.6174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7456 -22.2048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7458 -21.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4602 -20.9674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0311 -22.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0313 -20.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4602 -20.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8891 -20.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 1 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 6 9 1 6 0 0 0 2 10 1 6 0 0 0 3 11 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 6 0 0 0 15 17 1 0 0 0 0 15 11 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 20 1 1 0 0 0 17 18 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 20 25 1 0 0 0 0 26 34 1 1 0 0 0 27 26 1 0 0 0 0 27 33 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 27 1 0 0 0 0 30 32 1 6 0 0 0 31 26 1 0 0 0 0 29 31 1 0 0 0 0 31 35 1 1 0 0 0 28 14 1 1 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 37 43 1 1 0 0 0 38 44 1 6 0 0 0 40 19 1 1 0 0 0 42 45 1 1 0 0 0 41 46 1 1 0 0 0 47 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 1 0 0 0 49 55 1 6 0 0 0 51 43 1 1 0 0 0 53 56 1 6 0 0 0 52 57 1 1 0 0 0 55 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 57 61 1 0 0 0 0 63 62 1 0 0 0 0 64 62 1 0 0 0 0 64 65 1 0 0 0 0 65 68 1 1 0 0 0 65 66 1 0 0 0 0 66 69 1 6 0 0 0 66 67 1 0 0 0 0 67 63 1 0 0 0 0 67 70 1 6 0 0 0 63 71 1 6 0 0 0 64 56 1 1 0 0 0 M END > CHEBI:68580 > beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc > A branched amino hexasaccharide comprising a linear chain of β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose and N-acetylβ-D-glucosamine, all linked (1→3), with an α-L-fucose residue (1→4)-linked to each N-acetyl-β-D-glucosamine residue. > 3 > WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-1-2-3-3/a3-b1_a4-f1_b3-c1_c3-d1_c4-e1; O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranose; Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta; Galb1-3(Fuca1-4)GlcNAcb1-3Galb1-3(Fuca1-4)GlcNAcb; beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosamine; beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc; alpha-L-fucosyl-(1->4)-[alpha-L-fucosyl-(1->4)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosamine > alpha-L-fucopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose; 6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose > C40H68N2O29 > 1040.96390 > 1040.39077 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C40H68N2O29/c1-9-19(49)23(53)26(56)37(61-9)67-30-15(7-45)63-35(60)17(41-11(3)47)32(30)69-40-29(59)34(22(52)14(6-44)65-40)71-36-18(42-12(4)48)33(70-39-28(58)25(55)21(51)13(5-43)64-39)31(16(8-46)66-36)68-38-27(57)24(54)20(50)10(2)62-38/h9-10,13-40,43-46,49-60H,5-8H2,1-4H3,(H,41,47)(H,42,48)/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 > ZJHLTOHNWJIRQK-FFTXTBMESA-N > 19443021; 25568069; 31537530 $$$$