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"InChI=1S/C96H160N6O70/c1-21-47(121)58(132)63(137)89(147-21)169-79-46(102-27(7)120)88(157-38(18-113)77(79)168-93-67(141)62(136)51(125)31(11-106)152-93)167-78-39(19-114)158-95(70(144)81(78)171-86-44(100-25(5)118)56(130)73(34(14-109)155-86)164-91-65(139)60(134)49(123)29(9-104)150-91)170-80-52(126)40(160-94(69(80)143)166-75-36(16-111)153-84(42(55(75)129)98-23(3)116)161-71-32(12-107)148-83(145)41(53(71)127)97-22(2)115)20-146-96-82(172-87-45(101-26(6)119)57(131)74(35(15-110)156-87)165-92-66(140)61(135)50(124)30(10-105)151-92)68(142)76(37(17-112)159-96)162-85-43(99-24(4)117)54(128)72(33(13-108)154-85)163-90-64(138)59(133)48(122)28(8-103)149-90/h21,28-96,103-114,121-145H,8-20H2,1-7H3,(H,97,115)(H,98,116)(H,99,117)(H,100,118)(H,101,119)(H,102,120)/t21-,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+,55+,56+,57+,58+,59-,60-,61-,62-,63-,64+,65+,66+,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80-,81+,82-,83?,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-/m0/s1", "crossref": [ { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=146834", "id": "146834", "database": "ChEBI" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G03933", "id": "G03933", "database": "KEGG Glycan" }, { "url": "https://www.glygen.org/glycan/G08450OR", "id": "G08450OR", "database": "GNOme" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91858575", "id": "91858575", "database": "PubChem Compound" }, { "url": "https://raw.githack.com/CCRC-will/glycoTree/master/portal/explore.html?G08450OR", "id": "G08450OR", "database": "SandBox" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252291991", "id": "252291991", "database": "PubChem Substance" }, { "url": "https://glytoucan.org/Structures/Glycans/G08450OR", "id": "G08450OR", "database": "GlyTouCan" } ], "tool_support": { "sandbox": "yes", "gnome": "yes" }, "glycoct": "RES 1b:x-dglc-HEX-1:5 2s:n-acetyl 3b:b-dglc-HEX-1:5 4s:n-acetyl 5b:b-dman-HEX-1:5 6b:a-dman-HEX-1:5 7b:b-dglc-HEX-1:5 8s:n-acetyl 9b:b-dgal-HEX-1:5 10b:b-dglc-HEX-1:5 11s:n-acetyl 12b:a-lgal-HEX-1:5|6:d 13b:b-dgal-HEX-1:5 14b:a-dman-HEX-1:5 15b:b-dglc-HEX-1:5 16s:n-acetyl 17b:b-dgal-HEX-1:5 18b:b-dglc-HEX-1:5 19s:n-acetyl 20b:b-dgal-HEX-1:5 LIN 1:1d(2+1)2n 2:1o(4+1)3d 3:3d(2+1)4n 4:3o(4+1)5d 5:5o(3+1)6d 6:6o(3+1)7d 7:7d(2+1)8n 8:7o(4+1)9d 9:6o(4+1)10d 10:10d(2+1)11n 11:10o(3+1)12d 12:10o(4+1)13d 13:5o(6+1)14d 14:14o(2+1)15d 15:15d(2+1)16n 16:15o(4+1)17d 17:14o(4+1)18d 18:18d(2+1)19n 19:18o(4+1)20d", "iupac": "beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)[beta-D-Galp-(1->4)[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-?-D-GlcpNAc-(1->", "smiles_isomeric": "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@@H]4[C@H](O[C@@H]([C@H]([C@H]4O[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)O)NC(=O)C)O)O[C@H]7[C@@H]([C@H](O[C@H]([C@H]7O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](OC([C@@H]([C@H]9O)NC(=O)C)O)CO)CO)CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)CO)NC(=O)C)O)O)O", "mass": 2516.91, "expression": [] }