Ketcher 08271911412D 1 1.00000 0.00000 0 128135 0 1 0 999 V2000 11.1681 -25.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0345 -22.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0345 -23.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1682 -22.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1682 -24.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 -22.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3019 -23.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 -22.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 -24.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -24.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -22.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 -22.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 -19.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 -20.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 -19.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 -21.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0345 -19.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0345 -20.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6334 -19.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6334 -21.1082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1683 -21.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1683 -19.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3021 -19.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6334 -22.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4996 -22.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 -22.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4997 -16.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4997 -17.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6334 -16.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6334 -18.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 -16.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 -17.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3660 -16.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3660 -18.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9009 -18.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9009 -16.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0346 -16.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9649 -14.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9649 -15.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0985 -14.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0985 -16.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2323 -14.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2323 -15.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 -14.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 -16.1069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0985 -17.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3660 -14.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4997 -14.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 -17.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6973 -17.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4588 -17.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8661 -18.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8664 -18.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3660 -19.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3665 -19.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8661 -20.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8664 -20.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2581 -18.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3668 -19.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3665 -21.5725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3661 -21.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6975 -11.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6975 -12.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 -11.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 -13.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9649 -11.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9649 -12.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5636 -11.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5636 -13.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0986 -13.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0986 -11.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2323 -11.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 -10.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2962 -9.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2962 -11.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4299 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4299 -10.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0288 -9.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0288 -11.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2962 -12.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5636 -9.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6975 -9.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8950 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7613 -9.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6276 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4939 -9.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3602 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2263 -9.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0926 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7613 -8.1046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7613 -7.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8950 -6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6274 -6.6042 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 27.6276 -10.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9589 -9.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8252 -9.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8252 -10.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9589 -11.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9588 -12.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0926 -12.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0926 -13.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2262 -14.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2262 -15.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3600 -15.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3599 -16.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9170 -26.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9456 -26.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4619 -27.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8802 -26.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4909 -27.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0351 -28.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3070 -25.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4432 -27.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 -28.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5618 -29.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4733 -27.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9286 -26.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 -26.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -25.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0361 -28.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0088 -28.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 -25.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -29.1413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1439 -30.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6613 -30.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1435 -29.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4939 -8.1046 0.0000 O 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 1 0 0 6 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 19 1 6 0 0 14 20 1 6 0 0 16 8 1 1 0 0 18 21 1 1 0 0 17 22 1 1 0 0 23 22 1 0 0 0 25 24 2 0 0 0 26 24 1 0 0 0 20 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 33 1 1 0 0 28 34 1 6 0 0 30 19 1 1 0 0 32 35 1 1 0 0 31 36 1 1 0 0 37 36 1 0 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 46 1 1 0 0 43 33 1 6 0 0 42 47 1 1 0 0 48 47 1 0 0 0 50 49 2 0 0 0 51 49 1 0 0 0 45 49 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 34 1 1 0 0 53 58 1 1 0 0 55 59 1 6 0 0 57 60 1 6 0 0 56 61 1 6 0 0 62 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 67 1 0 0 0 62 68 1 1 0 0 63 69 1 6 0 0 65 44 1 1 0 0 67 70 1 1 0 0 66 71 1 1 0 0 72 71 1 0 0 0 73 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 78 1 0 0 0 73 79 1 1 0 0 74 80 1 6 0 0 76 81 1 1 0 0 78 68 1 6 0 0 77 82 1 1 0 0 83 82 1 0 0 0 79 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 85 91 1 6 0 0 91 92 1 0 0 0 92 93 2 0 0 0 92 94 1 0 0 0 86 95 1 1 0 0 90 96 1 0 0 0 96 97 1 0 0 0 97 98 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 0 0 0 103104 1 0 0 0 104105 1 0 0 0 105106 1 0 0 0 107108 1 0 0 0 107109 1 0 0 0 107110 1 1 0 0 108111 1 0 0 0 109112 1 0 0 0 110113 1 0 0 0 110114 2 0 0 0 111115 1 0 0 0 112116 1 6 0 0 112115 1 0 0 0 111117 1 0 0 0 117118 1 0 0 0 118119 1 0 0 0 119120 1 0 0 0 111121 1 1 0 0 117122 1 6 0 0 118123 1 1 0 0 115124 1 1 0 0 124125 1 0 0 0 125126 1 0 0 0 125127 2 0 0 0 107 1 1 6 0 0 87128 1 6 0 0 M CHG 1 113 -1 M END > CHEBI:144656 > N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0)(1-) > 2 > N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine(1-); N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine(1-); blood antigen group type II sialosylgalactosyl-A(t18:0)(1-); alpha-NeuNAc-(2->3)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0)(1-); a neolactoside IV(3)-alpha-[NeuNAc-alpha-(2->3)-Gal-beta-(1->3)-GalNAc],IV(2)-alpha-Fuc-nLc4Cer(t18:0) > C76H130N4O46R > 1835.848 > 1834.79562 > -1 > O([C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5O)CO)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)*)O)O)O)NC(=O)C)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)NC(=O)C)O)[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C([O-])=O $$$$