Ketcher 11261814322D 1 1.00000 0.00000 0 103109 0 1 0 999 V2000 8.3567 -4.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5014 -5.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3567 -3.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6462 -4.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5014 -3.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 -3.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5012 -6.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7905 -5.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -3.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5014 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7712 -5.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -10.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -11.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 -9.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 -11.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 -10.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 -11.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5303 -9.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5303 -11.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 -12.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1091 -11.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1091 -9.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -10.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3857 -7.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3857 -8.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5305 -6.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5305 -8.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -7.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -8.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2410 -8.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -8.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -6.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 -7.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 -9.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7225 -9.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2410 -10.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2163 -10.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7350 -11.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7227 -11.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2163 -8.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2039 -10.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2165 -12.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -12.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -6.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 -4.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 -5.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -3.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3860 -4.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3860 -5.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 -3.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 -5.6335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5305 -3.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8073 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8073 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 -0.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 -2.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6626 -0.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6626 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -2.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2412 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3860 -1.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2286 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2286 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3733 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3733 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0839 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0839 -0.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3733 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6626 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8073 0.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9391 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7944 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6499 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5052 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3604 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2159 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0712 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7944 2.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7946 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9392 3.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6498 3.7494 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 21.6499 -0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9266 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7818 0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7818 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9266 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9264 -1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0712 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0712 -3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2157 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2157 -4.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3604 -5.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3604 -6.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8071 -5.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8073 -4.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6626 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5305 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5052 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 2 7 1 1 0 0 4 8 1 6 0 0 6 9 1 6 0 0 5 10 1 6 0 0 1 11 1 1 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 17 1 0 0 0 12 18 1 6 0 0 13 19 1 6 0 0 15 20 1 1 0 0 17 21 1 1 0 0 16 22 1 1 0 0 23 22 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 29 1 0 0 0 25 30 1 6 0 0 27 18 1 1 0 0 29 31 1 1 0 0 28 32 1 1 0 0 33 32 1 0 0 0 34 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 39 1 0 0 0 34 30 1 1 0 0 35 40 1 1 0 0 37 41 1 6 0 0 39 42 1 6 0 0 38 43 1 6 0 0 24 44 1 1 0 0 45 46 1 0 0 0 45 47 1 0 0 0 46 48 1 0 0 0 47 49 1 0 0 0 48 50 1 0 0 0 49 50 1 0 0 0 45 51 1 1 0 0 46 52 1 6 0 0 48 44 1 1 0 0 50 11 1 6 0 0 49 53 1 1 0 0 54 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 58 1 0 0 0 57 59 1 0 0 0 58 59 1 0 0 0 54 60 1 1 0 0 55 61 1 6 0 0 57 51 1 1 0 0 59 62 1 1 0 0 58 63 1 1 0 0 64 63 1 0 0 0 65 66 1 0 0 0 65 67 1 0 0 0 66 68 1 0 0 0 67 69 1 0 0 0 68 70 1 0 0 0 69 70 1 0 0 0 65 71 1 1 0 0 66 72 1 6 0 0 68 73 1 1 0 0 70 60 1 6 0 0 69 74 1 1 0 0 75 74 1 0 0 0 71 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 77 83 1 6 0 0 83 84 1 0 0 0 84 85 2 0 0 0 84 86 1 0 0 0 78 87 1 1 0 0 82 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 95 96 1 0 0 0 96 97 1 0 0 0 97 98 1 0 0 0 100 99 2 0 0 0 101 99 1 0 0 0 52 99 1 0 0 0 53102 1 0 0 0 79103 1 6 0 0 M END > CHEBI:142644 > alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0) > 2 > lacto type B Lewis b(t18:0); IV(3)Gal,IV(2)Fuc,III(4)Fuc-Lc4Cer(t18:0); alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine; alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine; alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0) > C63H111N2O37R > 1488.549 > 1487.68657 > 0 > [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)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)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)*)O)O)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O $$$$