Accord 08271317182D 89 92 0 0 0 0 0 0 0 0999 V2000 18.7972 7.2689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0615 7.6926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3254 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2224 6.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3718 6.5332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5332 7.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6011 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6011 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8654 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4620 8.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6513 8.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1242 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3826 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6410 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8994 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1577 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4161 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6745 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9329 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1913 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4497 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9665 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4832 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7416 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5835 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8419 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1003 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3587 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6171 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8755 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1338 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3922 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1674 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4258 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6843 7.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9426 7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5381 9.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8652 9.7039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9195 9.9743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9681 9.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4763 10.5768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4219 10.3066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9822 10.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0355 9.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2516 9.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9476 10.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3735 10.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4951 10.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2747 10.0128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3291 10.2832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3776 10.0339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8858 10.8857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8315 10.6155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3917 10.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4450 9.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6612 10.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8747 11.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7830 10.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9046 11.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2018 11.1809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2562 11.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3048 11.2020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8129 12.0538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7586 11.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3188 12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 11.0248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5883 11.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8019 12.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7101 12.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8318 12.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2390 10.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5676 10.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8107 10.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6049 10.5142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6592 10.7845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7078 10.5353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2159 11.3870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1616 11.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7218 11.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 10.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 10.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2049 11.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1131 11.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2348 11.7152 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 3 28 2 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 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 62 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 M END > LMSP0503AB02 > > Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C62H114N2O23 > 1254.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260493 > - > - > Active (generated by computational methods) > - $$$$