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"InChI=1S/C95H155N7O70/c1-23(113)96-45-30(120)8-93(90(144)145,168-73(45)52(126)33(123)11-103)151-22-44-60(134)72(164-87-68(142)78(59(133)40(18-110)155-87)172-95(92(148)149)10-32(122)47(98-25(3)115)75(170-95)54(128)35(125)13-105)51(102-29(7)119)84(159-44)167-80-65(139)56(130)37(15-107)157-89(80)165-76-61(135)43(160-85(66(76)140)162-70-42(20-112)158-82(49(63(70)137)100-27(5)117)161-69-41(19-111)152-81(143)48(62(69)136)99-26(4)116)21-150-88-79(64(138)55(129)36(14-106)156-88)166-83-50(101-28(6)118)71(57(131)38(16-108)153-83)163-86-67(141)77(58(132)39(17-109)154-86)171-94(91(146)147)9-31(121)46(97-24(2)114)74(169-94)53(127)34(124)12-104/h30-89,103-112,120-143H,8-22H2,1-7H3,(H,96,113)(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,144,145)(H,146,147)(H,148,149)/t30-,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+,93+,94-,95-/m0/s1", "crossref": [ { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=146045", "id": "146045", "database": "ChEBI" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91848403", "id": "91848403", "database": "PubChem Compound" }, { "url": "https://raw.githack.com/CCRC-will/glycoTree/master/portal/explore.html?G00320ZP", "id": "G00320ZP", "database": "SandBox" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=12484", "id": "12484", "database": "Glycosciences.de" }, { "url": "https://glytoucan.org/Structures/Glycans/G00320ZP", "id": "G00320ZP", "database": "GlyTouCan" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G07400", "id": "G07400", "database": "KEGG Glycan" }, { "url": "https://glyconnect.expasy.org/browser/structures/2336", "id": "2336", "database": "GlyConnect" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+8284", "id": "8284", "database": "CarbBank" }, { "url": "https://www.glygen.org/glycan/G00320ZP", "id": "G00320ZP", "database": "GNOme" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252279888", "id": "252279888", "database": "PubChem Substance" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=24034", "id": "24034", "database": "Glycosciences.de" } ], "tool_support": { "sandbox": "yes", "gnome": "yes" }, "glycoct": "RES 1b:b-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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 11s:n-acetyl 12b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 13s:n-acetyl 14b:a-dman-HEX-1:5 15b:b-dglc-HEX-1:5 16s:n-acetyl 17b:b-dgal-HEX-1:5 18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 19s:n-acetyl 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(2+1)7d 7:7d(2+1)8n 8:7o(3+1)9d 9:9o(3+2)10d 10:10d(5+1)11n 11:7o(6+2)12d 12:12d(5+1)13n 13:5o(6+1)14d 14:14o(2+1)15d 15:15d(2+1)16n 16:15o(3+1)17d 17:17o(3+2)18d 18:18d(5+1)19n", "iupac": "alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->3)[alpha-D-NeupAc-(2->6)]-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)[alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->", "smiles_isomeric": "CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@@H]([C@H](O[C@H]([C@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)CO)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)NC(=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O", "mass": 2513.88, "expression": [] }