Accord 08271317192D 105109 0 0 0 0 0 0 0 0999 V2000 23.2270 7.7278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5032 8.1444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7792 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6454 7.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8085 7.0039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9511 8.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0503 6.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0503 5.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3265 6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8972 8.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0997 8.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5973 6.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8677 6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1381 6.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4085 6.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6790 6.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0493 8.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3197 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5901 8.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8605 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1308 8.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4014 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6717 8.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9421 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6790 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9421 7.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1426 6.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3432 7.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5438 6.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7443 7.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9450 6.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8866 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0941 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3017 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5092 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7168 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9244 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3395 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5471 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9622 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1697 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3773 5.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5849 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 5.7050 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 23.9561 10.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2941 10.1236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3638 10.3896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4277 10.1444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9439 10.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8742 10.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4416 10.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4778 9.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7229 10.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4238 10.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8103 10.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9462 11.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7618 10.4275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8314 10.6935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8954 10.4483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4116 11.2863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3419 11.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9093 11.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9455 10.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1906 10.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4007 11.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2780 11.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4139 11.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3758 10.7391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6137 10.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2620 9.2414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2997 9.3424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0615 9.9389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6052 9.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0203 9.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6948 8.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8523 9.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4135 10.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6276 10.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7273 7.9165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7970 8.1825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8609 7.9373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3771 8.7752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3074 8.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8748 8.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9110 7.7629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 8.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2435 8.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3794 9.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7801 7.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1033 7.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3586 7.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3413 8.0243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9211 7.2967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 7.5096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0968 7.2786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7205 8.0064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1806 7.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5332 7.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6832 7.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0968 6.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5334 7.7936 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 97 98 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 96105 1 0 0 0 0 89 96 1 0 0 0 0 M END > LMISSP0505DE07 > > Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O27 > 1482.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261610 > - > - > Active (generated by computational methods) > - $$$$