Accord 08271317192D 126132 0 0 0 0 0 0 0 0999 V2000 21.5223 7.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7670 8.2705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0115 7.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9590 7.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0856 7.0803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2779 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2944 6.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2944 5.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5391 7.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1782 8.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3459 8.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7782 6.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0168 7.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2555 6.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4941 7.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7329 6.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2498 8.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4885 7.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7271 8.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9658 7.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2043 8.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4432 7.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6817 8.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9204 7.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7329 5.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9204 7.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0861 6.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 7.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4177 6.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5835 7.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7494 6.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9060 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0791 5.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2521 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4252 5.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5983 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7714 5.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1176 5.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2831 10.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5923 10.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6215 10.6134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6447 10.3575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1398 11.2319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1106 10.9545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6592 11.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7405 10.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9092 10.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5971 10.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0875 11.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1858 11.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9063 10.6529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9355 10.9305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9587 10.6746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4538 11.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4246 11.2716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9732 11.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0545 10.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2232 10.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4424 12.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4015 11.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4998 11.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3730 10.9780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5778 10.3558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2107 9.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2065 9.5206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0015 10.1430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5253 9.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 10.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6189 8.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7397 9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3688 11.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5487 10.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6093 8.0326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6384 8.3102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6617 8.0543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1568 8.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1276 8.6513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6761 8.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7575 7.8724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 8.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1454 9.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1045 8.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 9.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 7.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9581 7.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1810 7.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 8.3577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2807 7.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9136 6.7948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9095 6.9003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7045 7.5227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2283 7.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 7.5744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3218 6.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 8.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2517 7.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1907 7.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5385 6.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8090 12.5235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1147 13.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1437 13.5336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1542 14.5433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8486 13.8103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5927 14.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9943 12.8192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6109 14.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5275 14.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8196 13.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2260 14.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7681 12.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9354 12.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3896 12.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8367 14.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1424 15.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1714 15.2942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1819 16.3039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8763 15.5710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6204 16.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0220 14.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 15.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4616 16.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8473 15.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2537 16.0614 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 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 81 88 1 0 0 0 0 102103 1 1 0 0 0 104103 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 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 113114 1 0 0 0 0 113115 2 0 0 0 0 62102 1 0 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 119118 1 1 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 120125 1 0 0 0 0 116125 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 121126 1 0 0 0 0 110116 1 0 0 0 0 M END > LMISSP0506AI01 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C82H146N4O38 > 1794.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261876 > - > - > Active (generated by computational methods) > - $$$$