Ketcher 09201917262D 1 1.00000 0.00000 0 143152 0 1 0 999 V2000 12.9255 -22.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7935 -19.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7935 -20.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9255 -19.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9255 -21.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0576 -19.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0576 -20.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6614 -19.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6614 -21.1487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1897 -21.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1897 -19.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -19.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5294 -20.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5295 -19.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2493 -21.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5294 -16.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5294 -17.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6614 -16.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6614 -18.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7935 -16.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7935 -17.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3973 -16.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3973 -18.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9256 -18.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9256 -16.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0577 -16.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0012 -14.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0012 -15.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1331 -14.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1331 -16.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2653 -14.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2653 -15.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8690 -14.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8690 -16.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1331 -17.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3973 -14.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5294 -14.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7370 -15.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7370 -14.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5952 -16.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7371 -11.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7371 -12.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8690 -11.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8690 -13.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0012 -11.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0012 -12.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6049 -11.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6049 -13.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1332 -13.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1332 -11.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2653 -11.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2088 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2088 -10.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3409 -9.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3409 -11.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4729 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4729 -10.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0768 -9.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0768 -11.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3409 -12.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6049 -9.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7371 -9.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9446 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 -9.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6805 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5485 -9.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4164 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2842 -9.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1522 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8125 -8.1201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6805 -7.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6805 -6.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5483 -8.1201 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 27.6805 -10.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0201 -9.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8881 -9.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8881 -10.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0201 -11.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0200 -12.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1522 -12.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1522 -13.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2841 -14.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2841 -15.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4163 -15.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4162 -16.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4537 -24.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -21.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 -22.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4538 -21.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4538 -23.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5859 -21.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5859 -22.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1897 -23.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -23.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -21.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8501 -21.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7178 -27.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5858 -24.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5858 -25.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7178 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0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -26.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 -28.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2211 -28.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7178 -28.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7222 -28.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 -29.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2212 -29.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7222 -27.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7244 -28.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 -30.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7179 -30.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4266 -23.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4288 -23.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9255 -23.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9299 -23.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4267 -24.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4289 -24.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9299 -22.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9321 -23.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -25.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9256 -25.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1609 -17.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1140 -16.9996 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 2 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 87 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 91 1 0 0 0 90 92 1 0 0 0 91 92 1 0 0 0 88 93 1 6 0 0 90 86 1 1 0 0 92 94 1 1 0 0 91 95 1 1 0 0 96 95 1 0 0 0 87 10 1 1 0 0 98 99 1 0 0 0 98100 1 0 0 0 99101 1 0 0 0 100102 1 0 0 0 101103 1 0 0 0 102103 1 0 0 0 99104 1 6 0 0 101 97 1 1 0 0 103105 1 6 0 0 102106 1 1 0 0 107106 1 0 0 0 109108 2 0 0 0 110108 1 0 0 0 104108 1 0 0 0 112113 1 0 0 0 112114 1 0 0 0 113115 1 0 0 0 114116 1 0 0 0 115117 1 0 0 0 116117 1 0 0 0 113118 1 6 0 0 115111 1 1 0 0 117119 1 1 0 0 116120 1 1 0 0 121120 1 0 0 0 112105 1 1 0 0 98 86 1 1 0 0 122123 1 0 0 0 122124 1 0 0 0 123125 1 0 0 0 124126 1 0 0 0 125127 1 0 0 0 126127 1 0 0 0 123128 1 1 0 0 125129 1 6 0 0 127130 1 6 0 0 126131 1 6 0 0 122 97 1 1 0 0 132133 1 0 0 0 132134 1 0 0 0 133135 1 0 0 0 134136 1 0 0 0 135137 1 0 0 0 136137 1 0 0 0 133138 1 1 0 0 135139 1 6 0 0 137140 1 6 0 0 136141 1 6 0 0 132 1 1 1 0 0 142143 1 0 0 0 85142 1 0 0 0 M END > CHEBI:144906 > 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)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E)) > 2 > Lex decasaccharide glycolipid(d20:1(4E)); 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)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine; 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)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine; 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-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E)); a neolactoside VII(3),V(3)-alpha-Fuc2-nLc8Cer(d20:1(4E)) > C87H149N4O51R > 2067.114 > 2065.91887 > 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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C)O)CO)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)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(=O)C)O)O)NC(=O)C)[C@H]%10[C@H]([C@@H]([C@@H]([C@@H](O%10)C)O)O)O $$$$