Ketcher 08151918362D 1 1.00000 0.00000 0 95100 0 1 0 999 V2000 6.8030 -12.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -13.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -11.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -13.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 -12.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 -13.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6689 -11.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6689 -13.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -14.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -13.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -11.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 -12.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6689 -14.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -15.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -15.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5351 -9.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5351 -10.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -8.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -10.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -9.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -10.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 -8.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 -10.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 -10.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 -8.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -9.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9012 -11.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9012 -11.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 -12.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4011 -12.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9013 -13.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9013 -13.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4011 -10.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4011 -12.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4013 -13.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4013 -13.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -7.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 -6.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 -8.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 -7.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 -8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8653 -6.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8653 -8.5183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 -9.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4012 -6.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5351 -7.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7314 -4.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7314 -5.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8653 -3.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8653 -5.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -4.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9993 -5.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5974 -3.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5974 -5.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 -5.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 -3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 -4.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1955 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1955 -3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3295 -1.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3295 -3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4634 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4634 -3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0616 -1.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0616 -3.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3295 -4.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5974 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7314 -2.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9275 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7936 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5257 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3918 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2577 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1237 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7936 -0.5182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5257 -0.5182 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9898 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8559 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8559 -3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9898 -3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9897 -4.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1237 -5.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1237 -6.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2576 -6.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2576 -7.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3916 -8.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3915 -9.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 -8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7314 -7.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5974 -8.5183 0.0000 C 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 1 7 1 1 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 0 0 14 13 2 0 0 0 15 13 1 0 0 0 8 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 7 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 23 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 45 1 1 0 0 42 22 1 6 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 43 1 1 0 0 53 56 1 1 0 0 52 57 1 1 0 0 58 57 1 0 0 0 59 60 1 0 0 0 59 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 64 1 0 0 0 59 65 1 1 0 0 60 66 1 6 0 0 62 67 1 1 0 0 64 54 1 6 0 0 63 68 1 1 0 0 69 68 1 0 0 0 65 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 2 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 71 77 1 6 0 0 77 78 1 0 0 0 78 79 2 0 0 0 78 80 1 0 0 0 72 81 1 1 0 0 76 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 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 94 93 2 0 0 0 95 93 1 0 0 0 44 93 1 0 0 0 M END > CHEBI:144543 > N-acetyl-beta-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(d18:1(4E)) > 2 > N-acetyl-beta-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')-N-acylsphingosine; N-acetyl-beta-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')-N-acyl-sphing-4-enine; beta-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(d18:1(4E)); a neolactoside IV(3)-beta-GalNAc,IV(2)-alpha-Fuc-nLc4Cer(d18:1(4E)) > C59H102N3O32R > 1365.444 > 1364.64464 > 0 > [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(=O)C)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O > 402937 $$$$