Accord 08271317182D 122128 0 0 0 0 0 0 0 0999 V2000 24.3036 7.1282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6121 7.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9203 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7033 6.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9038 6.4366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1794 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1794 5.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4879 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9885 8.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2266 8.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7912 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0941 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3970 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6999 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0029 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3058 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6087 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9117 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2146 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5175 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8204 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1234 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4263 6.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7292 6.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2229 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5258 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8288 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1317 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4346 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7375 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0405 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3434 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6463 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9492 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2522 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5551 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8581 7.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1610 7.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3675 9.4169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4787 9.6711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5844 9.4368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1221 10.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0109 9.9834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5976 10.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5877 9.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9109 9.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6252 9.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9053 10.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0797 10.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9927 9.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1039 9.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2095 9.7271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7473 10.5277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6361 10.2738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2228 10.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2128 9.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5361 9.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7369 11.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5305 10.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7049 10.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1044 10.8052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2155 11.0594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3212 10.8251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8589 11.6257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7478 11.3717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3345 11.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3245 10.6585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6478 11.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8485 12.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6422 11.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8166 11.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1994 10.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5082 10.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7967 10.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 10.1785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8346 10.4326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9403 10.1983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4780 10.9989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3668 10.7450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9535 10.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9436 10.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2668 10.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4676 11.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2612 10.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4356 11.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 9.5518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4536 9.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5593 9.5716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0970 10.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9859 10.1183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5725 10.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5626 9.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8859 9.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6001 10.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8803 10.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0547 10.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 9.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0348 9.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 9.8421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0788 10.0963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1845 9.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7222 10.6626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6111 10.4086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1977 10.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 9.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5111 10.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7118 11.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5055 10.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 10.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 9.6548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1158 8.8521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3438 8.6319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6243 7.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7833 8.8518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4096 8.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5394 9.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 8.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8943 7.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 9.0721 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 3 26 2 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 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 60 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 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 84 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 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 95113 1 0 0 0 0 M END > LMISSP0503AH01 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260540 > - > - > Active (generated by computational methods) > - $$$$