ACD/Labs07262310193D 98105 0 0 1 0 0 0 0 0 1 V2000 15.7549 -18.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -24.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9067 -20.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -14.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3623 -12.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -28.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2105 -16.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6659 -12.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -24.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -28.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 -30.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -22.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6659 -8.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3623 -16.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -16.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -20.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -26.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -8.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -26.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -32.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -28.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -10.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3623 -10.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -24.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9067 -12.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8178 -4.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3622 -20.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -22.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 -26.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -32.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2732 -6.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -30.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2104 -8.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -28.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2732 -4.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 -18.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -2.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8178 -12.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5141 -6.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6030 -28.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -26.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -20.1168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6659 -14.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -30.7570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -22.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 -20.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9067 -18.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 -22.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2105 -14.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 -20.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3623 -14.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9067 -22.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9067 -16.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -26.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5141 -14.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -16.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -18.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 -26.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 -24.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2105 -12.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5141 -12.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 -26.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 -30.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2105 -18.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 -28.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 -30.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6659 -10.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -30.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 -24.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 -28.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8178 -10.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5141 -10.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8178 -8.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5141 -8.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -22.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0585 -12.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3623 -18.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -30.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -24.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 -28.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -30.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1214 -6.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -30.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8178 -6.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3623 -8.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -28.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -28.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1214 -4.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4512 -18.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8178 -14.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -4.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6030 -30.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6659 -6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -26.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 -18.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9696 -14.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7548 -30.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47 1 1 6 0 0 0 50 1 1 6 0 0 0 45 2 1 1 0 0 0 59 2 1 1 0 0 0 3 50 1 0 0 0 0 3 52 1 0 0 0 0 49 4 1 6 0 0 0 56 4 1 6 0 0 0 5 60 1 0 0 0 0 5 61 1 0 0 0 0 54 6 1 1 0 0 0 65 6 1 1 0 0 0 7 56 1 0 0 0 0 7 64 1 0 0 0 0 61 8 1 1 0 0 0 67 8 1 1 0 0 0 9 59 1 0 0 0 0 9 69 1 0 0 0 0 10 65 1 0 0 0 0 10 70 1 0 0 0 0 66 11 1 6 0 0 0 78 11 1 1 0 0 0 48 12 1 6 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 51 14 1 1 0 0 0 53 15 1 1 0 0 0 57 16 1 6 0 0 0 58 17 1 6 0 0 0 73 18 1 1 0 0 0 80 18 1 6 0 0 0 62 19 1 1 0 0 0 68 20 1 1 0 0 0 21 78 1 0 0 0 0 21 88 1 0 0 0 0 71 22 1 6 0 0 0 72 23 1 1 0 0 0 24 75 1 0 0 0 0 25 76 1 0 0 0 0 26 85 1 0 0 0 0 26 92 1 0 0 0 0 27 77 1 0 0 0 0 28 79 1 0 0 0 0 29 81 1 0 0 0 0 82 30 1 6 0 0 0 83 31 1 1 0 0 0 84 32 1 1 0 0 0 33 86 1 0 0 0 0 87 34 1 1 0 0 0 89 35 1 6 0 0 0 36 90 2 0 0 0 0 37 92 1 0 0 0 0 38 91 2 0 0 0 0 39 94 1 0 0 0 0 40 93 2 0 0 0 0 41 95 1 0 0 0 0 46 42 1 1 0 0 0 42 90 1 0 0 0 0 55 43 1 6 0 0 0 43 91 1 0 0 0 0 63 44 1 6 0 0 0 44 93 1 0 0 0 0 45 48 1 0 0 0 0 45 52 1 0 0 0 0 46 48 1 0 0 0 0 46 50 1 0 0 0 0 47 53 1 0 0 0 0 47 57 1 0 0 0 0 49 51 1 0 0 0 0 49 60 1 0 0 0 0 51 55 1 0 0 0 0 52 75 1 6 0 0 0 53 56 1 0 0 0 0 54 58 1 0 0 0 0 54 62 1 0 0 0 0 55 61 1 0 0 0 0 57 64 1 0 0 0 0 58 59 1 0 0 0 0 60 76 1 1 0 0 0 62 69 1 0 0 0 0 63 65 1 0 0 0 0 63 68 1 0 0 0 0 64 77 1 6 0 0 0 66 68 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 67 72 1 0 0 0 0 69 79 1 1 0 0 0 70 81 1 1 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 74 86 1 1 0 0 0 78 82 1 0 0 0 0 80 83 1 0 0 0 0 80 85 1 0 0 0 0 82 84 1 0 0 0 0 83 89 1 0 0 0 0 84 87 1 0 0 0 0 85 94 1 1 0 0 0 87 88 1 0 0 0 0 88 95 1 1 0 0 0 89 92 1 0 0 0 0 90 96 1 0 0 0 0 91 97 1 0 0 0 0 93 98 1 0 0 0 0 M END > CHEBI:157443 > beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > A linear amino octasaccharide comprised of β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose and D-glucose residues linked sequentially (1→4), (1→3), (1→4), (1→3), (1→4), (1→3) and (1→4). It is found in human milk. > 3 > WURCS=2.0/3,8,7/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2-3-2/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1_g4-h1; pLNnO; para-lacto-N-neooctaose; Galbeta4GlcNAcbeta3Galbeta4GlcNAcbeta3Galbeta4GlcNAcbeta3Galbeta4Glc; Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc; beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose > beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > C54H91N3O41 > 1438.302 > 1437.51280 > 0 > CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC2C(O)C(NC(C)=O)C(OC3C(O)C(CO)OC(OC4C(O)C(NC(C)=O)C(OC5C(O)C(CO)OC(OC6C(O)C(O)C(O)OC6CO)C5O)OC4CO)C3O)OC2CO)C1O > InChI=1S/C54H91N3O41/c1-12(66)55-23-30(73)40(92-51-36(79)33(76)26(69)15(4-58)85-51)20(9-63)89-48(23)96-44-27(70)16(5-59)86-52(37(44)80)93-41-21(10-64)90-49(24(31(41)74)56-13(2)67)97-45-28(71)17(6-60)87-53(38(45)81)94-42-22(11-65)91-50(25(32(42)75)57-14(3)68)98-46-29(72)18(7-61)88-54(39(46)82)95-43-19(8-62)84-47(83)35(78)34(43)77/h15-54,58-65,69-83H,4-11H2,1-3H3,(H,55,66)(H,56,67)(H,57,68)/t15-,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-,43-,44+,45+,46+,47?,48+,49+,50+,51+,52+,53+,54+/m1/s1 > JRRQMGXUUBRQDE-YEFBXUEHSA-N > 26613816; 35100486 $$$$