Accord 08271317192D 129135 0 0 0 0 0 0 0 0999 V2000 23.7269 7.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9833 8.2239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2394 7.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1569 7.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2970 7.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4709 8.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5179 6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5179 5.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7743 7.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3881 8.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5687 8.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0251 6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2755 7.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5259 6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7763 7.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0268 6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4895 8.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7399 7.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9903 8.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2406 7.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4909 8.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7415 7.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9918 8.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2422 7.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0268 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2422 7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4208 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5995 7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7781 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9567 7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1354 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2126 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3984 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5842 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7701 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9559 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3276 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5134 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6992 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0709 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4425 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6283 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4760 10.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7959 10.2574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8400 10.5307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8783 10.2787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3812 11.1397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3370 10.8666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8925 11.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9572 10.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1541 10.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8468 10.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2988 11.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4110 11.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1667 10.5696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2108 10.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2491 10.5909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7520 11.4519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7078 11.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2633 11.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3280 10.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5249 10.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7408 12.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6696 11.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7818 11.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5309 9.8956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5750 10.1689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6133 9.9170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1162 10.7779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0720 10.5048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6276 10.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6922 9.7378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8891 10.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5818 10.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0339 10.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1460 11.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5577 9.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8898 9.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1247 9.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9017 10.2079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9458 10.4812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9841 10.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4870 11.0902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4429 10.8171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9984 11.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0630 10.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2599 10.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4758 11.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4047 11.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5168 11.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4229 10.5280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6399 9.9153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2785 8.9892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2897 9.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0725 9.7058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6037 9.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0576 9.7567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6957 8.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9402 9.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4342 10.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6267 10.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1482 9.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5359 9.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8937 9.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5399 10.0501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5489 9.1868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7187 8.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9449 8.2168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1159 9.1865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7141 8.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0043 9.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5651 8.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2353 7.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9460 9.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0521 10.0064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0610 9.1432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2309 8.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4571 8.1731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6281 9.1429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2263 8.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 9.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0773 8.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7474 7.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4582 9.3798 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 91110 1 0 0 0 0 120121 1 1 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 120129 1 0 0 0 0 78120 1 0 0 0 0 M END > LMISSP0505BM07 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C88H157N3O36 > 1832.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261282 > - > - > Active (generated by computational methods) > - $$$$