Marvin 11071216192D 87 93 0 0 1 0 999 V2000 12.7054 -104.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8488 -103.5235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8488 -104.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1343 -103.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1343 -104.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4198 -103.5235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4198 -104.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5633 -103.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5633 -104.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1343 -105.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7054 -103.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9909 -103.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5632 -108.8861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2777 -109.2986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8487 -109.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2776 -110.1237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8487 -110.1236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5632 -110.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5632 -108.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9922 -108.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -110.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5632 -111.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1342 -110.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1342 -111.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5633 -105.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2778 -105.9986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8488 -105.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2777 -106.8236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8488 -106.8236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5632 -107.2361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9922 -105.5861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9922 -107.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1343 -107.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1343 -108.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2778 -101.0485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2778 -101.8735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5633 -100.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5633 -102.2860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8488 -101.0485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8488 -101.8735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9923 -100.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9923 -102.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 -102.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1344 -100.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1358 -99.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1358 -100.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4212 -98.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4212 -100.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7068 -99.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7068 -100.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8502 -98.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8502 -100.6360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4212 -101.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9923 -98.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2778 -99.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8502 -101.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5647 -101.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1357 -101.8735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9937 -97.7484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9937 -98.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2792 -97.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2792 -98.9859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5647 -97.7484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5647 -98.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7082 -97.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7082 -98.9859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2791 -99.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8502 -97.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1358 -97.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7081 -99.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4226 -100.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9936 -100.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7067 -105.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4212 -105.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7066 -106.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4199 -101.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9909 -101.8735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7054 -100.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9910 -101.0485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7054 -99.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2764 -100.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9909 -99.3985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2764 -99.8110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5620 -101.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5620 -99.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9909 -98.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2764 -98.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 6 0 0 0 3 9 1 1 0 0 0 5 10 1 1 0 0 0 7 1 1 6 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 1 0 0 0 14 20 1 6 0 0 0 16 21 1 1 0 0 0 18 22 1 1 0 0 0 17 23 1 1 0 0 0 24 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 30 1 0 0 0 0 25 9 1 1 0 0 0 26 31 1 6 0 0 0 28 32 1 1 0 0 0 30 19 1 6 0 0 0 29 33 1 1 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 1 0 0 0 36 42 1 1 0 0 0 38 8 1 1 0 0 0 40 43 1 6 0 0 0 39 44 1 1 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 50 1 0 0 0 0 45 51 1 1 0 0 0 46 52 1 6 0 0 0 48 53 1 1 0 0 0 50 41 1 6 0 0 0 49 54 1 1 0 0 0 55 54 1 0 0 0 0 52 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63 64 1 0 0 0 0 59 65 1 1 0 0 0 60 66 1 6 0 0 0 62 67 1 1 0 0 0 64 51 1 6 0 0 0 63 68 1 1 0 0 0 69 68 1 0 0 0 0 66 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 2 0 0 0 0 31 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 2 0 0 0 0 44 76 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 80 82 1 0 0 0 0 81 83 1 0 0 0 0 82 83 1 0 0 0 0 78 76 1 6 0 0 0 79 77 1 1 0 0 0 81 84 1 1 0 0 0 83 85 1 6 0 0 0 82 86 1 1 0 0 0 87 86 1 0 0 0 0 M END > CHEBI:70969 > beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc > A branched amino heptasaccharide comprised of a hexasaccharide chain of β-D-galactose, N-acetyl-β-D-glucosamine, α-D-mannose, β-D-mannose, and two N-acetyl-β-D-glucosamine residues linked sequentially (1→4), (1→2), (1→3), (1→4) and (1→4), to the β-D-mannose residue of which is (1→6)-linked an α-D-mannose residue. > 3 > WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-4-3/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1; Mana1-6(Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb; Galbeta1-4GlcNAcbeta1-2Manalpha1-3(Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta; beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc > beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C48H81N3O36 > 1276.15520 > 1275.45998 > 0 > CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O > InChI=1S/C48H81N3O36/c1-11(58)49-21-28(65)37(17(7-55)76-42(21)74)83-43-22(50-12(2)59)29(66)39(19(9-57)80-43)85-47-36(73)40(27(64)20(82-47)10-75-45-34(71)31(68)24(61)14(4-52)77-45)86-48-41(33(70)26(63)16(6-54)79-48)87-44-23(51-13(3)60)30(67)38(18(8-56)81-44)84-46-35(72)32(69)25(62)15(5-53)78-46/h14-48,52-57,61-74H,4-10H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)/t14-,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-/m1/s1 > XAQRHAPNJNVSNV-ITWWESPWSA-N > 19443021; 31537530 $$$$