Accord 08271317182D 111115 0 0 0 0 0 0 0 0999 V2000 22.0296 9.0748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2814 9.5056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5328 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4623 8.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5971 8.3265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7783 9.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8131 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8131 7.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0649 8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6888 10.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8642 10.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3111 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5567 8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8024 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0482 8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2939 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5396 8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0311 8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2767 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5225 8.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7682 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7779 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5330 6.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5427 5.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7906 5.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0342 5.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2821 5.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7736 5.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 5.6759 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 19.7783 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0240 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2697 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5154 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7611 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0069 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2526 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4983 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7441 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9898 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2355 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4811 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7270 9.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9726 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7840 11.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0991 11.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1365 11.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1680 11.5752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6674 12.4422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6300 12.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1824 12.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2545 11.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4388 11.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1293 12.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5986 12.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7045 12.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4444 11.8681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4818 12.1433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5133 11.8896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0127 12.7566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9753 12.4816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5277 12.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5998 11.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7841 12.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0014 13.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9439 12.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0498 13.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3165 13.0571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3539 13.3324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3855 13.0786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8849 13.9456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8474 13.6706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3998 13.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4720 12.8982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6562 13.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8736 14.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8160 13.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9219 14.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3365 12.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6709 12.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9004 12.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7830 11.1894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8144 10.9363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1099 10.2249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2377 10.7164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2062 10.9696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6894 10.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1370 10.6227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3828 10.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9326 10.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9109 11.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 11.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1279 10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5377 10.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7526 10.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2477 9.9116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5593 10.6384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5965 10.9130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6070 11.9142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2955 11.1874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0417 11.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4399 10.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0683 11.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8843 12.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2582 10.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6696 11.6737 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 93 98 1 0 0 0 0 98 99 1 0 0 0 0 98100 2 0 0 0 0 69 87 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 95101 1 0 0 0 0 M END > LMISSP0503AO08 > > GalNAcbeta1-4(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C78H141N3O28 > 1567.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260603 > - > - > Active (generated by computational methods) > - $$$$