Accord 08271317182D 97100 0 0 0 0 0 0 0 0999 V2000 21.6889 8.9982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9557 9.4204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2221 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1129 8.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2650 8.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4226 9.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4967 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4967 6.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7635 8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3549 10.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5468 10.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0247 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2855 8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5463 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8071 8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0680 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3287 8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5896 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8504 8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1111 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 8.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6328 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6423 6.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3823 6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3918 5.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6547 5.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9135 5.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1764 5.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4351 5.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6981 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9566 5.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 5.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7413 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4826 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7434 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2650 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5258 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7867 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0474 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3083 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5691 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8300 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0907 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3514 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6124 9.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8731 8.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4282 11.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7570 11.4275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8137 11.6972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8646 11.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3740 12.2982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3173 12.0287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8786 12.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9293 11.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1499 11.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8466 11.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2665 12.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3903 12.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1754 11.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2321 12.0054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2830 11.7567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7924 12.6064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7357 12.3368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2970 12.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3477 11.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5683 11.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7813 13.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6849 12.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8087 12.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1101 12.9009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1668 13.1706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2177 12.9219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7271 13.7716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6704 13.5021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2317 13.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2825 12.7451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5030 13.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7161 14.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6196 13.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7434 14.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1497 12.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4774 12.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7224 12.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 12.2358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5787 12.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6296 12.2568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1390 13.1065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0823 12.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6437 13.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6944 12.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9149 12.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1280 13.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0315 13.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1553 13.4338 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 25 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 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 3 36 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 70 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 M END > LMISSP0503AB06 > > Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C70H130N2O23 > 1366.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260497 > - > - > Active (generated by computational methods) > - $$$$