Accord 08271317182D 89 92 0 0 0 0 0 0 0 0999 V2000 18.7472 7.2481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0190 7.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2906 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1680 6.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3262 6.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4756 7.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5634 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5634 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8353 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4154 8.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6131 8.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1017 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3677 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6337 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1658 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4318 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6978 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9639 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4959 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5563 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8223 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0883 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3544 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6204 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1524 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4184 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6845 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2165 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4825 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7487 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0147 7.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4804 9.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8145 9.6580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8786 9.9256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9369 9.6789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4502 10.5219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3861 10.2545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9508 10.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9933 9.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2278 9.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9269 10.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3278 10.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4585 10.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2610 9.9638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3251 10.2314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3834 9.9847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8966 10.8276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8326 10.5602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3973 10.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4398 9.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6743 10.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8857 11.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7743 10.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9050 11.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 9.3038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7651 9.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8234 9.3247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3367 10.1677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2726 9.9003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8374 10.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8798 9.1493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1144 9.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 9.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2144 10.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3450 10.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7481 8.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0733 8.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3241 8.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1411 8.6439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2051 8.9116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2635 8.6648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7767 9.5078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7126 9.2404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2774 9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3199 8.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 10.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6544 9.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7851 9.8326 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 61 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 > LMSP0504AB02 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C62H114N2O23 > 1254.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260621 > - > - > Active (generated by computational methods) > - $$$$