Accord 08271317182D 86 88 0 0 0 0 0 0 0 0999 V2000 21.7257 9.0065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9908 9.4296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2556 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1506 8.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3009 8.2715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4610 9.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5309 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5309 6.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7960 8.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3909 10.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5811 10.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0556 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3147 8.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5739 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8332 8.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0924 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3515 8.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6107 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 8.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1290 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3882 8.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6474 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 6.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 5.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9265 5.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1878 5.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4448 5.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7062 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9632 5.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2246 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 5.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5145 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7737 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0328 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2920 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5511 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8105 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0696 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3288 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5880 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8472 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1063 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3654 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6247 9.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8838 9.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4666 11.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7939 11.4411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8485 11.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8973 11.4622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4056 12.3138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3510 12.0436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9114 12.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9644 11.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1811 11.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8771 12.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3023 12.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4242 12.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2044 11.7499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2590 12.0203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3078 11.7711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8161 12.6226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7615 12.3525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3219 12.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3749 11.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5916 11.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8051 13.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7128 12.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8347 12.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1324 12.9177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1870 13.1880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2358 12.9388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7441 13.7904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6895 13.5203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2499 13.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3029 12.7617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5195 13.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7330 14.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6408 13.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7627 14.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1698 12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4983 12.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7416 12.5542 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 M END > LMISSP0503AA06 > > GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C64H120N2O18 > 1204.85 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260489 > - > - > Active (generated by computational methods) > - $$$$