Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 24.2674 7.2393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 7.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8120 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6879 6.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8467 6.5118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0846 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0846 5.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3571 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9359 8.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1343 8.3604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6241 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8908 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1574 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4241 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6907 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9574 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2240 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4907 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7573 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0239 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2906 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5572 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8239 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0905 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0784 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3450 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6116 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8783 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1449 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4116 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6782 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9449 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2115 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4781 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7448 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0114 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2782 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5448 7.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3346 9.6472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3995 9.9146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4586 9.6681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9723 10.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9074 10.2432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4726 10.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5141 9.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7502 9.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4495 10.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8484 10.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9798 10.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7841 9.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8490 10.2201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9082 9.9736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4218 10.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3569 10.5486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9221 10.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9637 9.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1997 10.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4109 11.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2979 10.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4293 11.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7455 11.1078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8104 11.3752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8695 11.1287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3832 11.9709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3183 11.7038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8834 11.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9250 10.9534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1610 11.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3722 12.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2592 11.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3906 12.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7934 10.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1183 10.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3698 10.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1885 10.4484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2534 10.7158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3126 10.4693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8262 11.3116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7613 11.0444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3265 11.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3681 10.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6041 10.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8153 11.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 11.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 11.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 10.7616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0191 10.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6656 9.2562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6983 9.3577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4641 9.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0054 9.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4278 10.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0955 8.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 9.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 10.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0279 10.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 7.9245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1879 8.1919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2470 7.9454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7607 8.7876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6958 8.5205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2609 8.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3025 7.7701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5385 8.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7497 9.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6367 8.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7682 9.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1709 7.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 7.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 7.5649 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 3 26 2 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 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 60 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 84 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 110111 1 0 0 0 0 110112 2 0 0 0 0 95 99 1 0 0 0 0 M END > LMISSP0503AM01 > > GalNAcbeta1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260580 > - > - > Active (generated by computational methods) > - $$$$