Ketcher 06141816152D 1 1.00000 0.00000 0 83 87 0 1 0 999 V2000 16.7834 -12.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6659 -13.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7750 -11.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9177 -13.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5257 -12.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6743 -14.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7568 -10.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0434 -12.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3999 -13.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8867 -10.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6235 -10.0319 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 20.2699 -12.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1432 -12.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0130 -12.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8872 -12.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9162 -13.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0760 -14.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1107 -15.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 -16.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2949 -17.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4448 -17.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4790 -18.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6291 -19.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6633 -20.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 -20.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 -21.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 -19.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -19.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -21.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -21.5239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -18.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -20.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -21.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 -22.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 -18.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -18.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 -19.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -21.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 -17.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 -18.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -17.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -18.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0428 -20.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 -16.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -16.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -16.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9865 -16.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9059 -17.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9865 -15.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -16.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -14.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 -14.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -16.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -17.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -15.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3705 -15.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5733 -16.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5733 -14.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4421 -14.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4421 -13.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3060 -14.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3060 -12.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5823 -12.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1883 -14.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3060 -15.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1883 -13.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8178 -13.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0388 -14.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2535 -21.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1221 -21.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2535 -20.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -24.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -23.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0512 -23.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 -23.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0512 -22.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -23.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 -22.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 -23.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -21.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 -21.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 -22.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5149 -11.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22 23 1 0 0 0 23 24 1 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 5 9 1 0 0 0 7 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 25 26 1 0 0 0 25 27 1 1 0 0 25 28 1 0 0 0 26 29 1 0 0 0 26 30 1 6 0 0 31 27 1 1 0 0 28 32 1 0 0 0 29 33 1 0 0 0 29 34 1 1 0 0 31 35 1 0 0 0 31 36 1 0 0 0 32 37 1 1 0 0 33 38 1 1 0 0 35 39 1 0 0 0 35 40 1 6 0 0 36 41 1 0 0 0 36 42 1 1 0 0 37 43 1 0 0 0 39 44 1 6 0 0 39 45 1 0 0 0 41 46 1 1 0 0 47 44 1 1 0 0 46 48 1 0 0 0 47 49 1 0 0 0 47 50 1 0 0 0 49 51 1 0 0 0 49 52 1 1 0 0 50 53 1 0 0 0 50 54 1 1 0 0 51 55 1 0 0 0 52 56 1 0 0 0 53 57 1 6 0 0 55 58 1 1 0 0 59 58 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 1 0 0 61 64 1 0 0 0 61 65 1 1 0 0 62 66 1 0 0 0 63 67 1 0 0 0 64 68 1 6 0 0 66 8 1 1 0 0 32 33 1 0 0 0 41 45 1 0 0 0 53 55 1 0 0 0 64 66 1 0 0 0 30 69 1 0 0 0 69 70 1 0 0 0 69 71 2 0 0 0 73 72 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 75 79 1 1 0 0 76 80 1 0 0 0 78 81 1 1 0 0 81 82 1 0 0 0 78 80 1 0 0 0 76 38 1 6 0 0 5 83 1 6 0 0 M END > CHEBI:141015 > alpha-D-Gal-(1->4)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0) > 2 > IV4-alpha-Gal-Gb4Cer(t18:0); globoside NOR1 (t18:0); alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-(4R)-hydroxysphinganine; alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0); alpha-D-Gal-(1->4)-Gb4Cer(t18:0); alpha-D-Gal-(1->4)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-acyl-(4R)-hydroxysphinganine > C51H91N2O29R > 1196.266 > 1195.57075 > 0 > [C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)(NC(=O)*)CO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O[C@@H]3[C@@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]5[C@@H]([C@@H](O)[C@H]([C@@H](CO)O5)O)O)[C@H](O4)CO)O)NC(C)=O)[C@H]([C@@H](CO)O3)O)O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO $$$$