Accord 08271317182D 109114 0 0 0 0 0 0 0 0999 V2000 19.6065 7.2785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8673 7.7043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1278 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0338 6.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1791 6.5393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3460 7.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4047 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4047 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6655 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2697 8.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4552 8.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9208 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1757 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4305 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6854 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9402 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1951 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9597 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2145 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4888 6.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3823 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6372 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8920 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1469 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4017 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6566 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9115 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1663 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4212 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9309 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1858 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4407 7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6956 7.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3509 9.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6748 9.7251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7247 9.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7687 9.7463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2745 10.6021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2247 10.3307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7829 10.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8412 9.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0488 9.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7434 10.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1808 10.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2982 10.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0673 10.0355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1171 10.3072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1612 10.0567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6670 10.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6171 10.6410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1753 10.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2336 9.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4413 10.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6559 11.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5732 10.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6907 11.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4532 9.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5030 9.6372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5471 9.3868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0529 10.2426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0030 9.9711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5612 10.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6195 9.2087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8272 9.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5217 9.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9591 10.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0766 10.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4858 9.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8159 8.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 9.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8391 8.6956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8889 8.9673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9330 8.7168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4388 9.5726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3889 9.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9471 9.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0054 8.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 8.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 10.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 9.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 9.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 8.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0562 7.7956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2261 8.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 7.7772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8300 8.5204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 8.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6813 7.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 7.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 7.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 8.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 10.4560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2539 10.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6501 10.6446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6409 10.9673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5675 11.2829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0177 11.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8774 9.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 10.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3523 10.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1714 10.6732 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 90 99 1 0 0 0 0 85 90 1 0 0 0 0 100101 1 1 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 100109 1 0 0 0 0 73100 1 0 0 0 0 M END > LMISSP0504AI02 > > Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C74H134N2O31 > 1546.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260677 > - > - > Active (generated by computational methods) > - $$$$