Accord 08271317192D 99103 0 0 0 0 0 0 0 0999 V2000 20.3979 7.7400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6705 8.1587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9429 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8184 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9774 7.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1256 8.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2154 6.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2154 5.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4880 7.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0665 8.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2650 8.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7552 6.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0220 7.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2888 6.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5556 7.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8225 6.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2094 8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4762 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7430 8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0098 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2765 8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5435 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8102 8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8225 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 7.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2736 6.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 7.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6669 6.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8635 7.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 6.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0262 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2298 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4335 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6371 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8408 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0444 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2481 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4517 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6554 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8590 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1306 10.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4653 10.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5304 10.4150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5898 10.1686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1035 11.0107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0384 10.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6037 10.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6450 9.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8814 10.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5808 10.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9792 10.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1108 11.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9156 10.4531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9807 10.7204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0400 10.4740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5538 11.3161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4887 11.0489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0539 11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0953 10.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3317 10.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5428 11.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4294 11.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5610 11.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5129 10.7662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7471 10.1669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3936 9.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4265 9.3626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1921 9.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7335 9.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1556 10.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8236 8.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9769 9.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5458 10.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7561 10.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8513 7.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9164 8.1970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9757 7.9505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4895 8.7926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4244 8.5255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9897 8.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0310 7.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 8.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 8.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3652 8.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4968 9.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8994 7.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2242 7.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4759 7.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4486 8.0380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0264 7.3068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2095 7.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 7.2887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8198 8.0200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2773 7.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 7.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 7.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 6.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6367 7.8061 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 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 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 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 83 90 1 0 0 0 0 M END > LMISSP0505DE02 > > Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O27 > 1400.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261605 > - > - > Active (generated by computational methods) > - $$$$