Ketcher 12151718532D 1 1.00000 0.00000 0 55 58 0 1 0 999 V2000 10.2381 -29.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2381 -30.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3721 -28.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3721 -30.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5061 -29.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5061 -30.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -28.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -30.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3719 -31.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6399 -30.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6399 -28.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -29.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 -32.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 -33.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6399 -31.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6399 -33.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 -32.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 -33.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3719 -33.5765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6399 -34.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9078 -33.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9078 -31.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0418 -32.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3719 -34.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2379 -35.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 -35.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6041 -31.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6041 -31.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -32.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -32.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -33.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6042 -33.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -30.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1042 -32.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1040 -34.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -34.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8361 -29.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 -27.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 -28.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -26.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -28.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9701 -27.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9701 -28.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5683 -26.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5683 -28.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -26.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2381 -27.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4344 -27.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 -26.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1664 -27.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0324 -26.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8984 -27.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7644 -26.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6303 -27.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4964 -26.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 1 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 9 1 6 0 0 14 19 1 6 0 0 16 20 1 1 0 0 18 21 1 1 0 0 17 22 1 1 0 0 23 22 1 0 0 0 25 24 1 0 0 0 26 24 2 0 0 0 19 24 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 27 8 1 1 0 0 28 33 1 1 0 0 30 34 1 6 0 0 32 35 1 6 0 0 31 36 1 6 0 0 38 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 43 1 0 0 0 38 44 1 1 0 0 39 45 1 6 0 0 41 37 1 1 0 0 43 7 1 6 0 0 42 46 1 1 0 0 47 46 1 0 0 0 48 44 1 0 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 54 55 2 0 0 0 M END > CHEBI:139310 > alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->4)-beta-D-GlcpO[CH2]6CH=CH2 > A glycoside formed between the branched tetrasaccharide α-L-Fuc-(1→2)-[α-D-GalNAc-(1→3)]-β-D-Gal-(1→4)-β-D-Glc and the alkenyl alcohol oct-7-en-1-ol. > 3 > oct-7-en-1-yl N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-beta-D-glucoside; oct-7-en-1-yl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside; alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->4)-beta-D-GlcO[CH2]6CH=CH2; alpha-D-GalNAc-(1,3)-[alpha-L-Fuc-(1,2)]-beta-D-Gal-(1,4)-beta-D-Glc-(1,O)-(CH2)6CH=CH2 > oct-7-en-1-yl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C34H59NO20 > 801.828 > 801.36304 > 0 > [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(C)=O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OCCCCCCC=C)O)O > InChI=1S/C34H59NO20/c1-4-5-6-7-8-9-10-48-32-27(47)25(45)28(18(13-38)52-32)53-34-30(55-33-26(46)24(44)20(40)14(2)49-33)29(22(42)17(12-37)51-34)54-31-19(35-15(3)39)23(43)21(41)16(11-36)50-31/h4,14,16-34,36-38,40-47H,1,5-13H2,2-3H3,(H,35,39)/t14-,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-/m0/s1 > HUJVOPSBFKUZOI-YWRULNRLSA-N > 19783843 > 28823097 $$$$