Marvin 04111116492D 48 51 0 0 1 0 999 V2000 12.0154 -9.4030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0154 -10.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3009 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -10.6405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5864 -9.4030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5864 -10.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7299 -8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -10.6405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -11.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -10.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -8.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 -9.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -11.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4443 -11.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0153 -11.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 -11.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1575 -11.8780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4430 -10.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 -12.2905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7285 -11.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7285 -11.8780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8720 -12.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 -13.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0141 -12.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0141 -10.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2996 -11.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -6.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4444 -7.7530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7299 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -8.1655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0154 -6.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0154 -7.7530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1589 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1589 -8.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -8.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3009 -6.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5865 -6.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3023 -5.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3023 -6.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5878 -4.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5878 -6.5155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8733 -5.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8733 -6.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0168 -4.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0168 -6.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5878 -7.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1589 -4.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -5.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 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 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 16 10 1 1 0 0 0 17 22 1 6 0 0 0 19 23 1 1 0 0 0 21 24 1 1 0 0 0 20 25 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 1 0 0 0 28 34 1 6 0 0 0 30 7 1 1 0 0 0 32 35 1 1 0 0 0 31 36 1 1 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 38 44 1 1 0 0 0 39 45 1 6 0 0 0 41 46 1 1 0 0 0 43 33 1 6 0 0 0 42 47 1 1 0 0 0 48 47 1 0 0 0 0 M END > CHEBI:61844 > beta-D-Galp-(1->4)-beta-D-GlcNAcp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp > The β anomer of β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc. > 3 > WURCS=2.0/3,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c4-d1; O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose; Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta; Galb1-4GlcNAcb1-3Galb1-4Glcb; betaGal(1->4)betaGlcNAc(1->3)betaGal(1->4)betaGlc; beta-D-glucopyranose, O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-; beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucose; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc > beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose > C26H45NO21 > 707.62960 > 707.24841 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O > InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)37/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 > IEQCXFNWPAHHQR-OEMKBTDYSA-N > 5470851 > 18678667; 19443021; 25568069; 31537530; 7521740 $$$$