Ketcher 09231917102D 1 1.00000 0.00000 0 126134 0 1 0 999 V2000 12.9778 -22.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 -19.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 -20.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9778 -19.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9778 -21.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1063 -19.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1063 -20.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -19.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -21.2341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2350 -21.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2350 -19.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3635 -19.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 -20.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5923 -19.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4636 -21.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 -16.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 -17.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -16.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -18.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 -16.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8492 -17.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4636 -16.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4636 -18.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9779 -18.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9779 -16.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1064 -16.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0780 -14.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0780 -15.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2064 -14.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2064 -16.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3351 -14.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3351 -15.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9493 -14.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9493 -16.2030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2064 -17.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4636 -14.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 -14.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7932 -15.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7405 -14.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4508 -15.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8209 -11.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8209 -12.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9493 -11.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9493 -13.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0780 -11.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0780 -12.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -11.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -13.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2065 -13.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2065 -11.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3351 -11.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3066 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3066 -10.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4352 -9.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4352 -11.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5637 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5637 -10.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1781 -9.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1781 -11.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4352 -12.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -9.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8209 -9.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0494 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9209 -9.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7924 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6638 -9.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5353 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4066 -9.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2781 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9209 -8.1530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7924 -7.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7924 -6.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6637 -8.1530 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 27.7924 -10.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1495 -9.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0210 -9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0210 -10.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1495 -11.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1494 -12.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2781 -12.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2781 -13.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4065 -14.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4065 -15.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5352 -15.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5350 -16.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 -23.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2287 -24.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7192 -23.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 -25.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2161 -24.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7194 -25.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0440 -24.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2286 -26.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 -26.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 -24.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2161 -22.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2287 -21.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 -22.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 -20.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7192 -22.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7192 -20.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2161 -21.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2287 -22.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -21.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 -19.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -19.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4809 -23.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4871 -23.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9778 -23.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -23.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4809 -24.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4871 -24.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8812 -22.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 -23.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 -25.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9779 -25.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7095 -18.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7158 -18.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2064 -18.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2189 -18.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7095 -19.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7158 -19.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1098 -17.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2251 -18.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2189 -20.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2065 -20.6950 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 117118 1 0 0 0 117119 1 0 0 0 118120 1 0 0 0 119121 1 0 0 0 120122 1 0 0 0 121122 1 0 0 0 118123 1 1 0 0 120124 1 6 0 0 122125 1 6 0 0 121126 1 6 0 0 117 35 1 1 0 0 M END > CHEBI:144919 > 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)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0) > 2 > glycolipid Le(y) nonasaccharide(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)-[alpha-L-fucosyl-(1->3)]-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)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:0); a neolactoside VI(2),V(3),III(3)-alpha-Fuc3-nLc6Cer(d18:0) > C77H134N3O45R > 1821.884 > 1820.82893 > 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[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)O)NC(=O)C)[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O > 3733752 $$$$