Ketcher 07251617062D 1 1.00000 0.00000 0 48 51 0 1 0 999 V2000 4.4667 -15.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3910 -11.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3910 -10.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5804 -9.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2690 -9.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5804 -8.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 -10.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2690 -8.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1135 -10.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3910 -8.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 -8.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 -10.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1135 -8.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 -11.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -10.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9579 -7.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -12.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 -12.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0677 -10.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9579 -6.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8362 -8.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0677 -11.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -13.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 -13.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -10.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8362 -6.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1135 -6.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6805 -7.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8023 -9.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -12.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5804 -13.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 -13.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6805 -6.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5587 -8.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5587 -6.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2354 -6.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 -8.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 -10.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0677 -13.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -13.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -13.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -14.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -15.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0677 -14.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 -13.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1894 -16.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -15.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -13.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 1 0 0 5 8 1 0 0 0 5 9 1 6 0 0 6 10 1 0 0 0 6 11 1 1 0 0 12 7 1 1 0 0 8 13 1 1 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 13 1 6 0 0 14 17 1 0 0 0 14 18 1 6 0 0 15 19 1 0 0 0 16 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 17 23 1 1 0 0 18 24 1 0 0 0 19 25 1 1 0 0 20 26 1 0 0 0 20 27 1 1 0 0 21 28 1 0 0 0 21 29 1 1 0 0 22 30 1 1 0 0 24 31 1 0 0 0 24 32 2 0 0 0 26 33 1 0 0 0 28 34 1 6 0 0 33 35 1 0 0 0 8 10 1 0 0 0 19 22 1 0 0 0 28 33 1 0 0 0 27 36 1 0 0 0 11 37 1 0 0 0 25 38 1 0 0 0 39 23 1 1 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 39 44 1 0 0 0 41 45 1 1 0 0 42 1 1 1 0 0 43 46 1 1 0 0 44 47 1 6 0 0 45 48 1 0 0 0 M END > CHEBI:132814 > beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-D-Glcp > An amino tetrasaccharide consisting of β-D-galactose, N-acetyl-β-D-galactosamine, β-D-galactose and D-glucose residues in a linear (1→3), (1→4), (1→4) sequence. > 3 > WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b4-c1_c3-d1; Galbeta1-3GalNAcbeta1-4Galbeta1-4Glc; beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-D-glucose; beta-D-galactosyl-(1-3)-N-acetyl-beta-D-galactosaminyl-(1-4)-beta-D-galactosyl-(1-4)-D-glucose; beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc > beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > C26H45NO21 > 707.631 > 707.24841 > 0 > O[C@H]1[C@H](O[C@@H](O[C@@H]2[C@H]([C@H](O[C@@H]3[C@H](O)[C@H]([C@H](O[C@@H]4[C@H](OC(O)[C@@H]([C@H]4O)O)CO)O[C@@H]3CO)O)O[C@H](CO)[C@@H]2O)NC(C)=O)[C@@H]([C@H]1O)O)CO > InChI=1S/C26H45NO21/c1-6(32)27-11-22(48-25-18(39)14(35)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)46-21-10(5-31)45-26(19(40)16(21)37)47-20-9(4-30)42-23(41)17(38)15(20)36/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22-,23?,24+,25+,26+/m1/s1 > HCXIEPLIUZXCMD-NLFJORDCSA-N > 16406213 $$$$