Ketcher 01171912112D 1 1.00000 0.00000 0 155166 0 1 0 999 V2000 26.6797 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5521 -0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6714 0.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8235 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4072 -0.0906 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 27.5605 -1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7092 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9591 -0.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8748 2.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5898 2.3303 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 17.2441 -8.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3752 -8.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2441 -9.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5195 -8.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3752 -10.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0947 -10.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5195 -9.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6641 -8.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3752 -11.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1152 -4.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3996 -4.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5418 -2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8263 -2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1152 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3974 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1152 -1.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3974 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2438 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2438 -0.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5508 -0.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1126 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2480 -3.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1126 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8023 -0.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9591 -2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5370 -6.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6597 -14.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5286 -11.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5286 -12.5204 0.0000 C 0 0 0 0 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0 0 0 12.1819 -5.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3570 -10.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4959 -9.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0385 -4.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 -6.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 -7.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5831 -6.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7326 -8.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7306 -6.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -7.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 -9.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8702 -6.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7277 -5.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0143 -6.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0343 -4.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 -9.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7152 -9.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 -10.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 -9.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -11.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4346 -11.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 -10.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -9.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -12.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -11.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8021 -14.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9331 -14.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8021 -15.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0775 -14.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9331 -16.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6526 -15.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0774 -15.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2219 -14.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9329 -16.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2219 -15.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4486 -14.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7217 -16.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7314 -17.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5821 -16.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5839 -18.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4564 -16.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5850 -15.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4443 -17.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5868 -19.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3053 -16.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3002 -18.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 -8.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4319 -6.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -7.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 -7.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -6.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 -6.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -7.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -5.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 -5.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -7.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -4.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 -8.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -7.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6941 -3.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 -4.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3057 -20.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1748 -17.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 -18.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3057 -17.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3058 -19.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0304 -19.1607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4595 -17.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4595 -18.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0822 -20.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 -17.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9328 -20.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2265 -20.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9396 -17.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5746 -19.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 4 8 1 0 0 0 7 9 2 0 0 0 7 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 13 16 1 6 0 0 14 17 1 0 0 0 14 18 1 1 0 0 15 19 1 1 0 0 17 20 1 1 0 0 18 21 1 0 0 0 15 17 1 0 0 0 11 22 1 1 0 0 23 24 1 0 0 0 23 25 1 1 0 0 23 26 1 0 0 0 24 27 1 0 0 0 24 28 1 6 0 0 29 25 1 1 0 0 26 30 1 0 0 0 27 31 1 0 0 0 27 22 1 1 0 0 28 32 1 0 0 0 29 33 1 0 0 0 29 34 1 0 0 0 30 35 1 1 0 0 32 36 1 0 0 0 32 37 2 0 0 0 33 38 1 0 0 0 33 39 1 6 0 0 34 40 1 0 0 0 34 41 1 1 0 0 35 42 1 0 0 0 38 43 1 1 0 0 38 44 1 0 0 0 40 45 1 1 0 0 46 43 1 6 0 0 45 47 1 0 0 0 46 48 1 0 0 0 46 49 1 0 0 0 48 50 1 0 0 0 48 51 1 1 0 0 49 52 1 0 0 0 49 53 1 1 0 0 50 54 1 0 0 0 51 55 1 0 0 0 52 56 1 6 0 0 30 31 1 0 0 0 40 44 1 0 0 0 52 54 1 0 0 0 31 57 1 6 0 0 59 60 1 0 0 0 59 61 1 0 0 0 60 62 1 0 0 0 60 63 1 6 0 0 61 64 1 0 0 0 62 65 1 0 0 0 62 58 1 1 0 0 63 66 1 0 0 0 64 67 1 1 0 0 66 68 1 0 0 0 66 69 2 0 0 0 67 70 1 0 0 0 64 65 1 0 0 0 65 71 1 6 0 0 59 19 1 1 0 0 73 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 74 77 1 6 0 0 75 78 1 0 0 0 76 79 1 0 0 0 76 72 1 1 0 0 77 80 1 0 0 0 78 81 1 1 0 0 80 82 1 0 0 0 80 83 2 0 0 0 81 84 1 0 0 0 78 79 1 0 0 0 79 85 1 6 0 0 73 21 1 1 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 88 91 1 6 0 0 89 92 1 0 0 0 89 93 1 1 0 0 92 94 1 1 0 0 93 95 1 0 0 0 90 92 1 0 0 0 96 97 1 0 0 0 96 98 1 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 98101 1 1 0 0 99102 1 0 0 0 99103 1 6 0 0 100104 1 6 0 0 102105 1 6 0 0 100102 1 0 0 0 96 91 1 1 0 0 86 72 1 1 0 0 106107 1 0 0 0 106108 1 0 0 0 107109 1 0 0 0 108110 1 0 0 0 108111 1 6 0 0 109112 1 0 0 0 109113 1 1 0 0 110114 1 1 0 0 112115 1 1 0 0 113116 1 0 0 0 110112 1 0 0 0 117118 1 0 0 0 117119 1 0 0 0 118120 1 0 0 0 119121 1 0 0 0 119122 1 1 0 0 120123 1 0 0 0 120124 1 6 0 0 121125 1 6 0 0 123126 1 6 0 0 121123 1 0 0 0 117111 1 1 0 0 106 58 1 1 0 0 54 8 1 1 0 0 129130 1 0 0 0 129131 1 0 0 0 130132 1 0 0 0 130133 1 6 0 0 131134 1 0 0 0 132135 1 0 0 0 132128 1 1 0 0 133136 1 0 0 0 134137 1 1 0 0 136138 1 0 0 0 136139 2 0 0 0 137140 1 0 0 0 134135 1 0 0 0 135141 1 1 0 0 129127 1 6 0 0 90127 1 1 0 0 143144 1 0 0 0 143145 1 0 0 0 144146 1 0 0 0 144147 1 6 0 0 145148 1 0 0 0 146149 1 0 0 0 146142 1 1 0 0 147150 1 0 0 0 148151 1 1 0 0 150152 1 0 0 0 150153 2 0 0 0 151154 1 0 0 0 148149 1 0 0 0 149155 1 1 0 0 143114 1 6 0 0 M RGP 2 5 1 10 2 M END > CHEBI:142932 > alpha-L-fucosyl-(1->2)-(N-acetyl-alpha-D-galactosaminyl-(1->3))-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)-(N-acetyl-alpha-D-galactosaminyl-(1->3))-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide > 2 > lacto IV(3)-(a-Fuc1-2-(a-GalNAc1-3)-b-Gal1-3-b-GlcNAc),IV(6)-(a-Fuc1-2-(a-GalNAc1-3)-b-Gal1-3-b-GlcNAc)-Lc4Cer; alpha-L-Fuc-(1->2)-(alpha-D-GalNAc-(1->3))-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[alpha-L-Fuc-(1->2)-(alpha-D-GalNAc-(1->3))-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > C86H142N6O61R2 > 2236.055 > 2234.81939 > 0 > [C@H]([C@@H](*)O)(NC(=O)*)CO[C@@H]1O[C@@H]([C@@H](O[C@H]2[C@@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@@H]6O[C@@H]([C@H](O)[C@@H]([C@H]6O[C@@H]7O[C@H]([C@@H](O)[C@H]([C@@H]7O)O)C)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(C)=O)CO)NC(C)=O)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@@H]%10O[C@@H]([C@H](O)[C@@H]([C@H]%10O[C@@H]%11O[C@H]([C@@H](O)[C@H]([C@@H]%11O)O)C)O[C@@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O)NC(C)=O)CO)NC(C)=O)NC(C)=O)[C@H]([C@@H](CO)O2)O)O)[C@@H]([C@H]1O)O)CO > 6885761 $$$$