Accord 08271317182D 86 88 0 0 0 0 0 0 0 0999 V2000 21.5725 8.9721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8444 9.3913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1159 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9936 8.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1516 8.2438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3011 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3887 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3887 6.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6605 8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2408 10.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4384 10.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4588 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7248 8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9908 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2567 8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5227 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7887 8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0546 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3206 8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5866 7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5960 6.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3308 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3403 5.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 5.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 5.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1403 5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4041 5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 5.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 5.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7362 5.6644 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 19.3816 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6476 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9135 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1795 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4454 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7115 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9774 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2434 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5094 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7754 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0412 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3071 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5732 9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 8.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3067 11.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6401 11.3844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7034 11.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7609 11.4053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2737 12.2491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2105 11.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7749 12.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8182 11.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0512 11.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7500 11.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1530 12.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2830 12.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0835 11.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1468 11.9582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2043 11.7113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7171 12.5550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6538 12.2874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2182 12.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2616 11.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4946 11.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7061 13.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5964 12.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7263 12.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5204 11.0299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5837 11.2978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6412 11.0508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1540 11.8946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0908 11.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6552 11.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6985 10.8753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 11.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6304 11.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0334 11.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1633 12.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5667 10.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8921 10.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1424 10.6697 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 69 73 1 0 0 0 0 M END > LMISSP0504AA08 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C64H118N2O18 > 1202.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260619 > - > - > Active (generated by computational methods) > - $$$$