Accord 08271317182D 91 94 0 0 0 0 0 0 0 0999 V2000 20.2660 7.2671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5309 7.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7957 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6909 6.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8411 6.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0013 7.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0711 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0711 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3360 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1212 8.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5955 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8546 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1137 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3728 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6318 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8909 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1501 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4091 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6682 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9272 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1864 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4454 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7045 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9636 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4818 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 6.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0544 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3136 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5726 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8317 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0908 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3499 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6090 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8680 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3863 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6453 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9044 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1635 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4226 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0065 9.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3340 9.7007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3890 9.9709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4381 9.7218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9466 10.5730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8917 10.3030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4522 10.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5049 9.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7221 9.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4183 10.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8426 10.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9648 10.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7458 10.0094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8008 10.2796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8499 10.0305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3584 10.8817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3035 10.6117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8640 10.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9166 9.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1339 10.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3473 11.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2544 10.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3766 11.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6749 11.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7298 11.4470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7790 11.1979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2875 12.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2325 11.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7930 12.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8457 11.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0630 11.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2764 12.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1835 12.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3057 12.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7126 10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0410 10.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2846 10.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0801 10.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1351 10.7807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1842 10.5315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6927 11.3828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6378 11.1128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1983 11.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2510 10.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4682 10.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6816 11.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5887 11.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7109 11.7107 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 M END > LMISSP0503AB03 > > Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C64H118N2O23 > 1282.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260494 > - > - > Active (generated by computational methods) > - $$$$