Accord 08271317192D 121127 0 0 0 0 0 0 0 0999 V2000 24.2927 7.6401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5905 8.0443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8882 7.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 6.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8867 6.9378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1512 6.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1512 5.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4490 6.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9728 8.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1991 8.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7416 6.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0338 6.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3260 6.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6182 6.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9105 6.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1801 8.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4723 7.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7645 8.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0567 7.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3488 8.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6412 7.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9333 8.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2255 7.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9105 5.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2255 6.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4500 6.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6745 6.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8989 6.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1234 6.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3479 6.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1418 5.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3730 5.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6043 5.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8355 5.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0668 5.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2980 5.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5293 5.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7605 5.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3578 9.9643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4553 10.2224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5472 9.9845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0778 10.7974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9804 10.5395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5607 10.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5659 9.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8634 10.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5733 10.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8885 10.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0502 11.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9311 10.2591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0285 10.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1205 10.2793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6511 11.0922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5536 10.8343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1339 11.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1392 10.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4367 10.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6405 11.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4618 11.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6235 11.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4981 9.6228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5956 9.8808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6875 9.6429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2181 10.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1207 10.1980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7010 10.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7062 9.4738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0037 9.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7136 10.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0288 10.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1905 10.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5792 9.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8928 9.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1704 9.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0714 9.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1689 10.1756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2608 9.9377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7914 10.7506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6939 10.4928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2742 10.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2795 9.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5770 10.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7808 11.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6021 10.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7638 11.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6384 9.2812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7359 9.5393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8278 9.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3584 10.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2610 9.8564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8413 10.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8466 9.1322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1441 9.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 9.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1691 10.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3308 10.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7195 8.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0331 8.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3107 8.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3599 10.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9522 9.6111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1637 9.8177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1825 9.5936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7875 10.2996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2638 10.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 9.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 9.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 9.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 10.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2134 9.7274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2219 8.9123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4380 8.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7074 7.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8688 8.9120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4894 8.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6519 9.3516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2929 8.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9815 7.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6527 9.1357 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 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 59 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 71 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 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 102111 1 0 0 0 0 96102 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 70112 1 0 0 0 0 M END > LMISSP0505CN01 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O36 > 1721.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261484 > - > - > Active (generated by computational methods) > - $$$$