Accord 08271317192D 103107 0 0 0 0 0 0 0 0999 V2000 21.6741 7.7325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9489 8.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2235 7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0933 7.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2548 7.0073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3996 8.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4951 6.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4951 5.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7699 6.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3437 8.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5446 8.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0393 6.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3083 6.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5773 6.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8463 6.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1154 6.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4922 8.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7612 7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0302 8.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2992 7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5681 8.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1062 8.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3752 7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1154 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3752 7.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5742 6.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7733 7.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9723 6.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1713 7.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3704 6.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3215 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5275 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7336 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9396 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1456 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3517 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5577 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7638 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1758 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5879 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4046 10.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7413 10.1330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8092 10.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8714 10.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3866 10.9934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3187 10.7271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8852 10.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9235 9.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1652 10.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8655 10.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2566 10.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3908 11.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2022 10.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2701 10.7040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3323 10.4583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8475 11.2979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7796 11.0315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3461 11.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3844 10.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6261 10.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8366 11.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7175 11.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8517 11.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6567 9.7802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7246 10.0468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7867 9.8011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3020 10.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2341 10.3743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8006 10.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8389 9.6264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0805 9.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7808 10.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1720 10.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3062 10.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7076 9.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0315 9.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2854 9.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1176 10.0847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1855 10.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2476 10.1055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7629 10.9451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6950 10.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2615 10.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2998 9.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5414 10.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7519 11.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6329 10.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7671 11.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2642 9.8883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2730 9.0465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4634 8.8156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7089 8.1005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8756 9.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4838 8.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7172 9.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3136 8.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9920 7.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6852 9.2772 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 95 96 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 94103 1 0 0 0 0 76 94 1 0 0 0 0 M END > LMISSP0505AB04 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O27 > 1456.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44260983 > - > - > Active (generated by computational methods) > - $$$$