Ketcher 09231916322D 1 1.00000 0.00000 0 116123 0 1 0 999 V2000 12.9649 -22.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 -19.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 -20.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 -19.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 -21.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 -19.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 -20.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -19.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -21.2131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 -21.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 -19.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3532 -19.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5767 -20.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5768 -19.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4473 -21.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5767 -16.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5767 -17.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -16.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -18.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 -16.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 -17.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4473 -16.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4473 -18.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 -18.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 -16.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0944 -16.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0591 -14.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0591 -15.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 -14.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 -16.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3179 -14.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3179 -15.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9295 -14.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9295 -16.1869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 -17.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4473 -14.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5767 -14.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7726 -15.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7200 -14.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4295 -15.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8003 -11.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8003 -12.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9295 -11.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9295 -13.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0591 -11.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0591 -12.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6707 -11.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6707 -13.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1885 -13.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1885 -11.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3179 -11.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2825 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2825 -10.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4119 -9.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4119 -11.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5413 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5413 -10.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1531 -9.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1531 -11.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4119 -12.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6707 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8003 -9.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0236 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8942 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7648 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6354 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5060 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3765 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2471 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8942 -8.1449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7648 -7.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7648 -6.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6353 -8.1449 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 27.7648 -10.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1176 -9.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9882 -9.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9882 -10.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1176 -11.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1175 -12.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2471 -12.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2471 -13.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3763 -14.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3763 -15.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5059 -15.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5057 -16.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7160 -23.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2186 -24.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -23.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7158 -25.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 -24.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7107 -25.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 -24.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2185 -26.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 -26.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 -24.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 -22.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2186 -21.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7160 -22.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7158 -20.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -22.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -20.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 -21.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2186 -22.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -21.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 -19.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -19.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -23.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4727 -23.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 -23.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9754 -23.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4675 -24.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4727 -24.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8664 -22.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9806 -23.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9754 -25.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 -25.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 2 8 1 1 0 0 3 9 1 6 0 0 5 1 1 1 0 0 7 10 1 6 0 0 6 11 1 1 0 0 12 11 1 0 0 0 14 13 2 0 0 0 15 13 1 0 0 0 9 13 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 21 1 0 0 0 16 22 1 1 0 0 17 23 1 6 0 0 19 8 1 1 0 0 21 24 1 1 0 0 20 25 1 1 0 0 26 25 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 33 1 1 0 0 28 34 1 6 0 0 30 35 1 1 0 0 32 22 1 6 0 0 31 36 1 1 0 0 37 36 1 0 0 0 39 38 2 0 0 0 40 38 1 0 0 0 34 38 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 44 46 1 0 0 0 45 46 1 0 0 0 41 47 1 1 0 0 42 48 1 6 0 0 44 33 1 1 0 0 46 49 1 1 0 0 45 50 1 1 0 0 51 50 1 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 57 1 0 0 0 52 58 1 1 0 0 53 59 1 6 0 0 55 60 1 1 0 0 57 47 1 6 0 0 56 61 1 1 0 0 62 61 1 0 0 0 58 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 64 70 1 6 0 0 70 71 1 0 0 0 71 72 2 0 0 0 71 73 1 0 0 0 65 74 1 1 0 0 69 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 86 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 91 1 0 0 0 90 91 1 0 0 0 87 92 1 1 0 0 89 93 1 6 0 0 91 94 1 6 0 0 90 95 1 6 0 0 97 98 1 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 99101 1 0 0 0 100102 1 0 0 0 101102 1 0 0 0 98103 1 6 0 0 100 96 1 1 0 0 102104 1 1 0 0 101105 1 1 0 0 106105 1 0 0 0 97 10 1 1 0 0 86103 1 1 0 0 107108 1 0 0 0 107109 1 0 0 0 108110 1 0 0 0 109111 1 0 0 0 110112 1 0 0 0 111112 1 0 0 0 108113 1 1 0 0 110114 1 6 0 0 112115 1 6 0 0 111116 1 6 0 0 107 1 1 1 0 0 M END > CHEBI:144914 > alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0) > 2 > glycolipid Le(y) octasaccharide(d18:0); alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine; alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:0); a neolactoside VI(2),V(3)-alpha-Fuc2-nLc6Cer(d18:0) > C71H124N3O41R > 1675.743 > 1674.77103 > 0 > O([C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6O)CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(=O)C)O)O)NC(=O)C)[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O > 3733752 $$$$