Ketcher 03232017192D 1 1.00000 0.00000 0 93100 0 1 0 999 V2000 24.1305 -7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1305 -8.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2644 -7.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2644 -9.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3984 -7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3984 -8.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 -7.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 -9.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2644 -10.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5324 -9.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5324 -7.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6663 -7.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5946 -5.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5946 -6.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7285 -5.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7285 -7.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8625 -5.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8625 -6.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4607 -5.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4607 -7.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7285 -8.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 -5.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1305 -5.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8003 -7.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9343 -7.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8003 -6.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0683 -7.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9343 -5.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0683 -6.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9342 -8.5301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2022 -7.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2023 -5.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9344 -4.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0684 -4.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3362 -5.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4702 -5.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3362 -4.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 -5.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4702 -3.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 -4.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4701 -6.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7381 -5.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7382 -3.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4703 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6043 -2.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8002 -9.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6663 -8.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8002 -10.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4702 -7.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 -8.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3362 -8.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3362 -9.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4702 -9.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6041 -9.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2022 -9.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4701 -10.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7383 -9.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7382 -7.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7642 -14.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2642 -15.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7642 -14.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7642 -16.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2642 -15.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7641 -16.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2642 -13.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2642 -15.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2641 -16.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2641 -16.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2642 -15.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7641 -16.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7644 -10.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2644 -11.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7643 -10.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7643 -12.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2643 -11.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7643 -12.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2644 -11.7623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2642 -13.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2643 -11.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7643 -12.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2642 -16.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7642 -17.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7642 -16.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7642 -16.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2642 -16.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7642 -17.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2642 -15.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2641 -16.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2642 -18.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2642 -18.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7644 -10.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2644 -10.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7644 -10.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 1 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 19 1 0 0 0 14 20 1 6 0 0 16 21 1 1 0 0 18 7 1 6 0 0 17 22 1 1 0 0 23 22 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 29 1 0 0 0 24 12 1 1 0 0 25 30 1 6 0 0 27 31 1 1 0 0 29 32 1 6 0 0 28 33 1 1 0 0 34 33 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 40 1 0 0 0 35 32 1 1 0 0 36 41 1 6 0 0 38 42 1 1 0 0 40 43 1 1 0 0 39 44 1 1 0 0 45 44 1 0 0 0 46 47 2 0 0 0 46 48 1 0 0 0 30 46 1 0 0 0 50 49 1 0 0 0 51 49 1 0 0 0 51 31 1 1 0 0 51 52 1 0 0 0 52 55 1 1 0 0 52 53 1 0 0 0 53 56 1 6 0 0 53 54 1 0 0 0 54 50 1 0 0 0 54 57 1 6 0 0 50 58 1 6 0 0 59 60 1 0 0 0 59 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 64 1 0 0 0 59 65 1 1 0 0 60 66 1 6 0 0 62 67 1 1 0 0 64 68 1 1 0 0 63 69 1 1 0 0 70 69 1 0 0 0 71 72 1 0 0 0 71 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 76 1 0 0 0 71 9 1 1 0 0 72 77 1 6 0 0 74 78 1 1 0 0 76 65 1 6 0 0 75 79 1 1 0 0 80 79 1 0 0 0 82 81 1 0 0 0 83 81 1 0 0 0 83 66 1 1 0 0 83 84 1 0 0 0 84 87 1 1 0 0 84 85 1 0 0 0 85 88 1 6 0 0 85 86 1 0 0 0 86 82 1 0 0 0 86 89 1 6 0 0 82 90 1 6 0 0 91 92 2 0 0 0 91 93 1 0 0 0 77 91 1 0 0 0 M END > CHEBI:147299 > alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-{alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->6)}-beta-D-Galp-(1->4)-D-Glcp > A branched amino oligosaccharide comprising two fucosyl residues, three galactose residues and two N-acetylglucosamine residues, with a glucose residue at the reducing end, in the arrangement shown. > 3 > Galb1-4(Fuca1-3)GlcNAcb1-6(Fuca1-2Galb1-4GlcNAcb1-3)Galb1-4Glc; Fucalpha1-2Galbeta1-4GlcNAcbeta1-3[Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6]Galbeta1-4Glc; alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-{alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucosyl-(1->6)}-beta-D-galactosyl-(1->4)-D-glucose; 6-deoxy-alpha-L-galactosyl-(1->2)-beta-D-galactosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-{6-deoxy-alpha-L-galactosyl-[beta-D-galactosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucosyl-(1->6)}-beta-D-galactosyl-(1->4)-D-glucose; 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-{6-deoxy-alpha-L-galactopyranosyl-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)}-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-{alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)}-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > C52H88N2O39 > 1365.251 > 1364.49642 > 0 > [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O[C@@H]4O[C@H]([C@H]([C@H]([C@@H]4O)O)O)C)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@@H]7O[C@H]([C@H]([C@H]([C@@H]7O)O)O)C)O)NC(=O)C)O)O[C@H]8[C@@H]([C@H](C(O[C@@H]8CO)O)O)O > InChI=1S/C52H88N2O39/c1-11-23(62)29(68)35(74)48(80-11)91-42-22(54-14(4)61)46(85-19(9-59)41(42)90-50-37(76)31(70)25(64)15(5-55)83-50)79-10-20-27(66)43(38(77)51(87-20)88-40-17(7-57)82-45(78)34(73)33(40)72)92-47-21(53-13(3)60)28(67)39(18(8-58)86-47)89-52-44(32(71)26(65)16(6-56)84-52)93-49-36(75)30(69)24(63)12(2)81-49/h11-12,15-52,55-59,62-78H,5-10H2,1-4H3,(H,53,60)(H,54,61)/t11-,12-,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+,43-,44+,45?,46+,47-,48-,49-,50-,51-,52-/m0/s1 > XTHJTMCTQZLUMT-VNEGYPHSSA-N > 31537530 $$$$