Accord 08271317182D 104108 0 0 0 0 0 0 0 0999 V2000 21.7612 7.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0256 7.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2897 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1864 6.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3359 6.5331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4972 7.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5653 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5653 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8297 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 8.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6156 8.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0886 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3470 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6056 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8640 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1226 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3810 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6396 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1566 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4150 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6735 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1905 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7075 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2245 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7414 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5480 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8064 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0648 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3234 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5818 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8404 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0988 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3574 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6158 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8744 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1328 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6498 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 7.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5025 9.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8294 9.7047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8834 9.9752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9316 9.7258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4396 10.5779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3856 10.3076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9457 10.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9994 9.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2149 9.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9108 10.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3375 10.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4588 10.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2377 10.0137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2917 10.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3399 10.0348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8480 10.8869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7939 10.6166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3540 10.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4077 9.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6232 10.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8369 11.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7458 10.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8671 11.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3191 12.1660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3731 12.4365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4214 12.1871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9294 13.0391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8753 12.7689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4354 13.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4891 12.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7047 12.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9183 13.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8272 13.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9486 13.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 12.4827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1013 11.8764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7436 10.9599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7652 11.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5399 11.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0758 11.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5147 11.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1670 10.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3102 11.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8977 12.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0986 12.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1832 9.6127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2372 9.8832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2854 9.6339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7935 10.4859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7394 10.2156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2995 10.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3532 9.4566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 9.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7824 10.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6913 10.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8126 10.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 9.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5487 9.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7915 9.2489 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 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 87 91 1 0 0 0 0 M END > LMISSP0502AP04 > > GalNAcbeta1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260287 > - > - > Active (generated by computational methods) > - $$$$