Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 23.4202 7.2883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6775 7.7159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9346 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8496 6.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9909 6.5455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1633 7.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2128 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2128 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4700 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0819 8.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2635 8.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7219 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9732 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2246 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4758 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7272 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9785 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2298 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4812 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7325 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9839 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2352 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4866 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7379 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2406 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4920 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9946 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7487 6.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1856 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4369 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9396 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1909 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4423 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6936 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9450 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1963 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4477 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6990 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9503 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2017 7.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4530 7.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 10.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4892 9.7489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5337 10.0221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5723 9.7703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0754 10.6309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0309 10.3579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5866 10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6508 9.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8484 9.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5412 10.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9923 10.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1048 10.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8613 10.0610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9058 10.3343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9445 10.0824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4476 10.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4030 10.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9587 10.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0230 9.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2206 10.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4364 11.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3645 10.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4770 11.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9134 12.2350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9579 12.5082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9965 12.2563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4996 13.1170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4551 12.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0108 13.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0750 12.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2726 12.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4884 13.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4165 13.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5290 13.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2789 11.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3235 11.8345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3621 11.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8652 12.4432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8207 12.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3763 12.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4406 11.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6382 11.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 12.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 12.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8946 12.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3061 11.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6381 10.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8733 11.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6445 10.8876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6890 11.1608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7277 10.9089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2307 11.7695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1862 11.4965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7419 11.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8062 10.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 11.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 12.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1477 11.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2602 12.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2147 13.4024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5314 14.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5757 14.3965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5861 15.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2695 14.6689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0176 15.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4129 13.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0514 14.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9692 15.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2252 14.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6409 15.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 13.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3549 13.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 13.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 92107 1 0 0 0 0 M END > LMISSP0502AF05 > > Galbeta1-3(GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C82H149N3O33 > 1704.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260208 > - > - > Active (generated by computational methods) > - $$$$