Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 21.9046 9.0426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1626 9.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4204 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3336 8.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4757 8.3006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6470 9.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6983 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6983 7.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9564 8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5666 10.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7490 10.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2089 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4608 8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7129 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9650 8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2171 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4691 8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7212 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9733 8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2253 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4773 8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7294 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7390 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4878 6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4974 5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7516 5.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0016 5.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2558 5.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5056 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7599 5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5139 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 5.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0181 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6721 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9242 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1762 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4283 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6803 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9325 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1845 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4366 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6886 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9407 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1927 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4447 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6969 9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9489 9.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6526 11.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9735 11.5007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0190 11.7736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0586 11.5220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5622 12.3817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5167 12.1090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0729 12.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1360 11.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3355 11.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0286 12.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4771 12.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5906 12.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3495 11.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3950 12.0854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4346 11.8338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9382 12.6935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8927 12.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4489 12.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5120 11.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7115 12.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9271 13.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8532 12.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9666 13.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2479 12.9915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2934 13.2644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3331 13.0128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8367 13.8725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7911 13.5998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3473 13.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4104 12.8339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6099 13.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8255 14.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 13.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8650 14.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2761 12.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6077 12.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8437 12.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6173 12.3185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6628 12.5914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7025 12.3398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2061 13.1995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1606 12.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7167 13.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7799 12.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9794 12.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 13.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1210 13.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 13.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1435 12.6381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3616 12.0264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0007 11.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0134 11.2052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7951 11.8172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3269 11.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7787 11.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 10.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1562 12.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 12.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2574 12.1609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2664 11.2989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4374 11.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6647 10.3302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8355 11.2986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4342 10.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7212 11.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2840 10.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9547 9.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6645 11.5352 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 2 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 70 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 94 98 1 0 0 0 0 109110 1 1 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 109118 1 0 0 0 0 93109 1 0 0 0 0 M END > LMISSP0503AK08 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C82H148N2O32 > 1673.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260571 > - > - > Active (generated by computational methods) > - $$$$