Marvin 08031111372D 47 50 0 0 1 0 999 V2000 9.6136 -5.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6136 -6.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8992 -4.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 -6.4664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1848 -5.2289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1848 -6.0539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3283 -4.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 -7.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -4.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 -5.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -7.7038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1848 -8.5288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4702 -7.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -8.9412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7560 -7.7038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7560 -8.5288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8992 -8.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -9.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -8.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 -7.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 -7.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 -7.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 -8.1163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0427 -6.8788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7571 -6.4663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4715 -6.8789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4715 -7.7039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7573 -5.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1859 -6.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1859 -8.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 -8.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7573 -2.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0427 -2.7540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0427 -3.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3283 -2.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 -3.9914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6139 -2.7540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6139 -3.5790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7573 -3.9914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 -3.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 -2.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -2.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4715 -3.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4715 -2.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1861 -3.9914 0.0000 C 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 1 0 0 0 5 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 9 1 6 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 1 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 25 33 1 6 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 34 1 6 0 0 0 36 41 1 6 0 0 0 38 7 1 1 0 0 0 40 42 1 1 0 0 0 39 43 1 1 0 0 0 44 43 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 41 45 1 0 0 0 0 M END > CHEBI:62677 > alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-alpha-D-GalpNAc > A branched amino tetrasaccharide comprising N-acetyl-α-D-galactosamine at the reducing end with an α-D-galactosyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl moiety attached at the 3-position. > 3 > WURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b2-c1_b3-d1; O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-[alpha-D-galactopyranosyl-(1->3)]-O-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-alpha-D-galactopyranose; Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha; Gala1-3(Fuca1-2)Galb1-3GalNAca; blood group B type 3 tetrasaccharide; alpha-L-Fucp-(1->2)-[alpha-D-Galp-(1->3)]-beta-D-Galp-(1->3)-alpha-D-GalpNAc; alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosamine; alpha-L-Fuc-(1->2)-[alpha-D-Gal-(1->3)]-beta-D-Gal-(1->3)-alpha-D-GalNAc; alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosamine; alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc; 6-deoxy-alpha-L-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose > alpha-L-fucopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose > C26H45NO20 > 691.63020 > 691.25349 > 0 > C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C26H45NO20/c1-6-12(32)16(36)18(38)24(41-6)47-22-21(46-25-19(39)17(37)13(33)8(3-28)43-25)15(35)10(5-30)44-26(22)45-20-11(27-7(2)31)23(40)42-9(4-29)14(20)34/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15-,16+,17-,18-,19+,20+,21-,22+,23-,24-,25+,26-/m0/s1 > UTKJZGYXPDLBQS-VQEPVDRHSA-N > 10442639; 25568069; 31537530 $$$$