Ketcher 05241813232D 1 1.00000 0.00000 0 78 82 0 1 0 999 V2000 14.4372 -5.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4372 -6.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5714 -5.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5714 -7.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7055 -5.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7055 -6.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3028 -5.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 -5.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5714 -8.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 -7.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3028 -7.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8367 -4.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1731 -5.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0353 -5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9048 -5.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7668 -5.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9118 -6.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6364 -5.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4984 -5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0404 -4.2183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3647 -5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0963 -5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0963 -6.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 -5.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 -7.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3647 -6.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8280 -5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8280 -6.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 -5.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 -7.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4988 -7.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6330 -6.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9076 -3.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9135 -2.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7749 -4.2552 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 10.9739 -7.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9739 -8.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1079 -7.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1079 -9.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2423 -7.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2423 -8.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 -7.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1079 -10.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 -9.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 -9.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3736 -6.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5106 -9.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5106 -10.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 -9.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 -11.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -9.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -10.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -9.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 -12.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -11.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 -11.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -8.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -12.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -13.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -12.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -14.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -12.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -13.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 -12.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -15.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 -14.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 -14.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -11.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 -15.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5105 -15.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -15.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5105 -16.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7788 -16.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 -17.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -17.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -17.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 -18.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3763 -15.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 1 0 0 0 1 7 1 1 0 0 5 8 1 1 0 0 4 9 1 1 0 0 6 10 1 6 0 0 2 11 1 6 0 0 8 12 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 1 1 0 0 16 18 2 0 0 0 18 19 1 0 0 0 14 20 1 6 0 0 19 21 1 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 21 24 1 0 0 0 26 25 1 0 0 0 28 27 1 0 0 0 29 27 1 0 0 0 30 28 1 0 0 0 22 29 1 0 0 0 23 30 1 0 0 0 26 31 1 0 0 0 31 32 1 0 0 0 20 33 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 37 36 1 0 0 0 38 36 1 0 0 0 39 37 1 0 0 0 40 38 1 0 0 0 41 39 1 0 0 0 41 40 1 0 0 0 36 10 1 1 0 0 40 42 1 1 0 0 39 43 1 1 0 0 41 44 1 1 0 0 37 45 1 6 0 0 42 46 1 0 0 0 48 47 1 0 0 0 49 47 1 0 0 0 50 48 1 0 0 0 51 49 1 0 0 0 52 50 1 0 0 0 52 51 1 0 0 0 47 44 1 6 0 0 51 53 1 1 0 0 50 54 1 1 0 0 52 55 1 1 0 0 48 56 1 6 0 0 53 57 1 0 0 0 59 58 1 0 0 0 60 58 1 0 0 0 61 59 1 0 0 0 62 60 1 0 0 0 63 61 1 0 0 0 63 62 1 0 0 0 62 64 1 1 0 0 61 65 1 1 0 0 63 66 1 1 0 0 59 67 1 6 0 0 64 68 1 0 0 0 58 54 1 6 0 0 70 69 1 0 0 0 71 69 1 0 0 0 72 70 1 0 0 0 73 71 1 0 0 0 74 72 1 0 0 0 74 73 1 0 0 0 73 75 1 6 0 0 72 76 1 6 0 0 74 77 1 6 0 0 70 78 1 1 0 0 69 67 1 1 0 0 M END > CHEBI:140832 > alpha-L-Fuc-(1->2)-alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-acylsphingosine > 2 > globoside FucGalGb3Cer (d18:1(4E)); Fuc-alpha1-2Gal-alpha1-3Gb3Cer(d18:1(4E)); alpha-L-fucosyl-(1->2)-alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphing-4E-enine; alpha-L-fucosyl-(1->2)-alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E)); alpha-L-Fuc-(1->2)-alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E)) > C49H86NO27R > 1121.200 > 1120.53872 > 0 > [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)O)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)* $$$$