Accord 08271317182D 83 85 0 0 0 0 0 0 0 0999 V2000 24.2719 7.2221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5532 7.6359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8343 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6873 6.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8564 6.5035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9908 7.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1035 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1035 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3849 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9445 8.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1526 8.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6610 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9365 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2122 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4878 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7634 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0390 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3146 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5902 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8658 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1415 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4170 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6927 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9683 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2439 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5195 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7952 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0707 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3463 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8975 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1732 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4488 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1097 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3853 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6608 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9365 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2121 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4877 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7633 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0390 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3145 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5902 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8658 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1413 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4170 7.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6926 7.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9964 9.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3386 9.6030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4141 9.8674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4839 9.6237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0030 10.4564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9276 10.1922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4976 10.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5274 9.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7834 9.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4862 10.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8578 10.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9991 10.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8283 9.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9038 10.1694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9736 9.9257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4928 10.7584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4173 10.4942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9874 10.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0172 9.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2732 10.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4820 11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3476 10.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4889 11.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9759 12.0085 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0514 12.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1212 12.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6404 12.8618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5649 12.5977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1350 12.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1648 11.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4208 12.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6296 13.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4952 12.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6365 13.1827 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 70 73 1 0 0 0 0 M END > LMISSP0502AA08 > > Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C62H115NO18 > 1161.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260171 > - > - > Active (generated by computational methods) > - $$$$