Ketcher 03291814532D 1 1.00000 0.00000 0 37 39 0 1 0 999 V2000 14.5747 -5.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4408 -5.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1728 -4.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3068 -3.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3066 -2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1728 -5.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4408 -4.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5746 -3.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3068 -5.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3069 -6.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0389 -5.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7709 -6.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7709 -5.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7709 -3.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9050 -4.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0389 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6370 -4.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9050 -5.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6370 -5.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5031 -5.7612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6370 -7.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5031 -6.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3690 -7.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5031 -3.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3417 -4.3058 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 18.0389 -2.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2709 -7.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2709 -7.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2708 -9.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7709 -10.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2709 -9.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7708 -10.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7709 -8.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7709 -8.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7710 -8.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7711 -8.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2710 -9.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 7 2 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 9 6 1 0 0 0 4 5 1 6 0 0 7 8 1 6 0 0 9 10 1 1 0 0 6 11 1 1 0 0 13 12 1 1 0 0 18 13 1 0 0 0 13 19 1 0 0 0 14 15 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 19 17 1 0 0 0 15 16 1 1 0 0 17 24 1 1 0 0 18 11 1 6 0 0 19 20 1 6 0 0 20 22 1 0 0 0 22 21 2 0 0 0 22 23 1 0 0 0 24 25 1 0 0 0 16 26 1 0 0 0 28 35 1 0 0 0 28 27 1 0 0 0 35 31 1 0 0 0 31 29 1 0 0 0 29 33 1 0 0 0 33 27 1 0 0 0 29 30 1 1 0 0 31 32 1 1 0 0 33 34 1 6 0 0 35 36 1 1 0 0 36 37 1 0 0 0 27 12 1 1 0 0 M END > CHEBI:140304 > beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide > Any glycoside derived from β-D-galactosyl-(1→3)-[α-L-fucosyl-(1→4)]-N-acetyl-β-D-glucosamine > 3 > beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-OR; a beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl derivative > C20H34NO15R > 528.482 > 528.19284 > 0 > O[C@@H]1[C@@H]([C@@H](O[C@H]([C@H]1O)O[C@H]2[C@H](O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)[C@H]([C@@H](O[C@@H]2CO)O*)NC(=O)C)C)O > Lewis-a-epitope $$$$