Ketcher 09251916182D 1 1.00000 0.00000 0 142150 0 1 0 999 V2000 10.2262 -33.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3648 -33.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4729 -33.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 -32.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4729 -34.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 -34.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 -34.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 -35.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8546 -32.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9691 -33.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 -32.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 -33.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7404 -32.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8546 -31.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 -34.9637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 -36.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -36.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 -36.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9874 -32.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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24.0115 -23.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0115 -25.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5652 -25.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5652 -23.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7036 -24.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5962 -22.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5962 -23.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 -21.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 -23.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8731 -22.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8731 -23.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4578 -23.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 -24.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0115 -21.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1499 -22.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -33.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -34.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 -33.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 -35.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 -33.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 -34.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6725 -33.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6725 -35.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 -36.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 -35.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 -31.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 -32.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3957 -31.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3957 -33.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5342 -31.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5342 -32.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1188 -33.4713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3957 -34.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6725 -31.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -31.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1188 -34.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9805 -34.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 -34.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -26.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3649 -27.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -25.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5032 -26.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3648 -25.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5033 -25.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 -27.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3648 -27.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6418 -27.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -25.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3648 -24.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5032 -23.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 -28.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -28.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 -27.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 -28.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -27.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 -27.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -29.9893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 -28.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8111 -26.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 -25.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 -30.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9496 -31.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 -29.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 23 1 0 0 0 5 6 1 0 0 0 23 7 1 0 0 0 6 8 1 6 0 0 6 7 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 23 13 1 1 0 0 9 14 1 1 0 0 7 15 1 1 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 3 19 1 0 0 0 3 2 1 6 0 0 19 20 2 0 0 0 19 21 1 0 0 0 10 22 1 6 0 0 9 23 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 26 32 1 6 0 0 32 33 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 27 36 1 1 0 0 31 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 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 57 1 1 0 0 52 58 1 1 0 0 59 58 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 60 66 1 1 0 0 61 67 1 6 0 0 63 68 1 1 0 0 65 54 1 6 0 0 64 69 1 1 0 0 70 69 1 0 0 0 72 71 1 0 0 0 73 71 2 0 0 0 67 71 1 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 79 1 0 0 0 78 79 1 0 0 0 74 80 1 1 0 0 75 81 1 6 0 0 77 66 1 1 0 0 79 82 1 1 0 0 78 83 1 1 0 0 84 83 1 0 0 0 85 86 1 0 0 0 85 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 90 1 0 0 0 86 91 1 6 0 0 88 92 1 1 0 0 90 80 1 6 0 0 89 93 1 1 0 0 94 93 1 0 0 0 95 96 1 0 0 0 95 97 1 0 0 0 96 98 1 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 99100 1 0 0 0 95101 1 1 0 0 96102 1 6 0 0 98103 1 1 0 0 100104 1 1 0 0 105106 1 0 0 0 105107 1 0 0 0 106108 1 0 0 0 107109 1 0 0 0 108110 1 0 0 0 109110 1 0 0 0 106111 1 6 0 0 108112 1 1 0 0 110101 1 6 0 0 109113 1 1 0 0 114113 1 0 0 0 116115 1 0 0 0 117115 2 0 0 0 111115 1 0 0 0 105 56 1 1 0 0 118119 1 0 0 0 118120 1 0 0 0 119121 1 0 0 0 120122 1 0 0 0 121123 1 0 0 0 122123 1 0 0 0 118124 1 1 0 0 119125 1 6 0 0 121126 1 1 0 0 123127 1 1 0 0 122128 1 1 0 0 129128 1 0 0 0 130131 1 0 0 0 130132 1 0 0 0 131133 1 0 0 0 132134 1 0 0 0 133135 1 0 0 0 134135 1 0 0 0 131136 1 6 0 0 133137 1 1 0 0 135124 1 6 0 0 134138 1 1 0 0 139138 1 0 0 0 141140 1 0 0 0 142140 2 0 0 0 136140 1 0 0 0 130 59 1 1 0 0 85 24 1 1 0 0 99 1 1 1 0 0 M CHG 1 21 -1 M END > CHEBI:144959 > N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-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))(1-) > 2 > N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-); N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-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(1-); alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-); a neolactoside VI(6)-alpha-NeuAc,IV(6)-beta-[Gal-beta-(1->4)-GlcNAc]-nLc6Cer(d18:1(4E)) > C84H141N5O51R > 2037.025 > 2035.85935 > -1 > C(O[C@]1(O[C@@]([C@@H]([C@H](C1)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(=O)[O-])[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(C)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(C)=O)O)O)NC(C)=O)O > 1601853 $$$$