Ketcher 08091919212D 1 1.00000 0.00000 0 102109 0 1 0 999 V2000 11.2213 -25.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -22.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -23.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2214 -22.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2214 -24.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 -22.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 -23.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 -22.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 -24.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 -24.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 -22.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6103 -22.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8326 -19.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8326 -20.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 -19.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 -21.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -19.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -20.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7031 -19.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7031 -21.2087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2215 -21.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2215 -19.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3511 -19.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7031 -22.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5734 -22.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8326 -22.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4647 -25.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4698 -25.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9622 -25.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9723 -25.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 -26.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4699 -26.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9723 -24.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9773 -25.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9724 -27.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9623 -27.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -16.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -17.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7031 -16.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7031 -18.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8326 -16.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8326 -17.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -16.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -18.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9623 -18.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9623 -16.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0919 -16.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0552 -14.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0552 -15.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1846 -14.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1846 -16.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3143 -14.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3143 -15.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9255 -14.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9255 -16.1836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1846 -17.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -14.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -14.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9255 -17.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7959 -17.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5515 -17.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9464 -19.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9514 -19.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -19.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4540 -19.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9464 -20.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9514 -20.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3451 -18.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4590 -19.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4540 -21.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4440 -21.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7960 -11.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7960 -12.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9255 -11.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9255 -13.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0552 -11.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0552 -12.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 -11.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 -13.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1847 -13.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1847 -11.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3143 -11.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2775 -9.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2775 -10.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4071 -9.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4071 -11.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5367 -9.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5367 -10.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1480 -9.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1480 -11.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4071 -12.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 -9.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7960 -9.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0183 -9.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8887 -9.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7591 -9.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6295 -9.1482 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 26.8887 -8.1432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7591 -7.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7591 -6.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6294 -8.1432 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 27.7591 -10.6558 0.0000 O 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 1 0 0 6 11 1 1 0 0 12 11 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 19 1 6 0 0 14 20 1 6 0 0 16 8 1 1 0 0 18 21 1 1 0 0 17 22 1 1 0 0 23 22 1 0 0 0 25 24 2 0 0 0 26 24 1 0 0 0 20 24 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 9 1 1 0 0 28 33 1 1 0 0 30 34 1 6 0 0 32 35 1 6 0 0 31 36 1 6 0 0 37 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 42 1 0 0 0 37 43 1 1 0 0 38 44 1 6 0 0 40 19 1 1 0 0 42 45 1 1 0 0 41 46 1 1 0 0 47 46 1 0 0 0 48 49 1 0 0 0 48 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 53 1 0 0 0 48 54 1 1 0 0 49 55 1 6 0 0 51 56 1 1 0 0 53 43 1 6 0 0 52 57 1 1 0 0 58 57 1 0 0 0 60 59 2 0 0 0 61 59 1 0 0 0 55 59 1 0 0 0 62 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 67 1 0 0 0 62 44 1 1 0 0 63 68 1 1 0 0 65 69 1 6 0 0 67 70 1 6 0 0 66 71 1 6 0 0 72 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 77 1 0 0 0 72 78 1 1 0 0 73 79 1 6 0 0 75 54 1 1 0 0 77 80 1 1 0 0 76 81 1 1 0 0 82 81 1 0 0 0 83 84 1 0 0 0 83 85 1 0 0 0 84 86 1 0 0 0 85 87 1 0 0 0 86 88 1 0 0 0 87 88 1 0 0 0 83 89 1 1 0 0 84 90 1 6 0 0 86 91 1 1 0 0 88 78 1 6 0 0 87 92 1 1 0 0 93 92 1 0 0 0 89 94 1 0 0 0 94 95 1 0 0 0 95 96 1 0 0 0 96 97 1 0 0 0 95 98 1 6 0 0 98 99 1 0 0 0 99100 2 0 0 0 99101 1 0 0 0 96102 1 1 0 0 M RGP 2 97 1 101 2 M END > CHEBI:144476 > alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide > 2 > blood group type III chain H; alpha-L-Fuc-(1->2)-beta-D-Gal -(1->3)-alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; a neolactoside IV(3)-alpha-[Fuc-alpha-(1->2)-Gal-beta-(1->3)-GalNAc], IV(2)-alpha-Fuc-nLc4Cer > C56H93N3O41R2 > 1464.335 > 1463.52845 > 0 > O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)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)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5O)CO)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](*)O)NC(=O)*)O)O)O)NC(=O)C)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)NC(=O)C)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O > 3944092 $$$$