Ketcher 04012015552D 1 1.00000 0.00000 0 26 27 0 0 0 999 V2000 6.0010 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 15 1 1 1 0 0 2 15 1 0 0 0 2 20 1 0 0 0 3 19 1 0 0 0 3 22 1 0 0 0 16 4 1 1 0 0 17 5 1 6 0 0 18 6 1 1 0 0 21 7 1 1 0 0 22 8 1 1 0 0 9 23 1 0 0 0 10 24 1 0 0 0 11 25 2 0 0 0 13 12 1 6 0 0 12 25 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 14 18 1 0 0 0 14 19 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 19 23 1 1 0 0 20 24 1 1 0 0 21 22 1 0 0 0 25 26 1 0 0 0 M END > CHEBI:147118 > beta-D-GlcpNAc-(1->4)-beta-D-Manp > An amino disaccharide comprised of 2-acetamido-β-D-glucopyranose linked (1→4) to β-D-mannopyranose. > 3 > WURCS=2.0/2,2,1/[a1122h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]acetamide; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-manno-hexopyranose > GlcNAc(b1-4)b-Man; 4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-beta-D-mannopyranose > C14H25NO11 > 383.350 > 383.14276 > 0 > O([C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO > InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)8(19)5(2-16)25-14(7)26-12-6(3-17)24-13(23)11(22)10(12)21/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14+/m1/s1 > DRHGSSXSNNHAAL-HTOUAXGPSA-N $$$$