Accord 08271317182D 133139 0 0 0 0 0 0 0 0999 V2000 24.2753 7.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5565 7.6278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8375 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6909 6.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8598 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9944 7.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 5.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3880 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9479 8.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1559 8.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6639 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9394 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2149 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4904 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7659 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0413 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3168 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8677 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1433 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6943 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9697 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2452 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5207 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7962 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6226 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1128 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3882 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6637 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9392 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2146 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4902 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7656 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0411 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8675 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1430 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4185 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 7.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3420 9.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4174 9.8597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4870 9.6160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0061 10.4488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9308 10.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5008 10.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5307 9.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7864 9.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4891 10.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8612 10.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0023 10.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8312 9.8974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9065 10.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9761 9.9180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4952 10.7509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4199 10.4867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9899 10.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0199 9.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2756 10.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4844 11.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3504 10.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4915 11.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9783 12.0012 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0536 12.2656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1232 12.0219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6423 12.8547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5670 12.5905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1370 12.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1670 11.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4227 12.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 13.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4975 12.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 13.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4610 11.3492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5363 11.6136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6060 11.3699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1251 12.2027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0498 11.9386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6198 12.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6497 11.1966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9054 11.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1142 12.6129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9802 12.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 12.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 10.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8408 10.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 10.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9438 10.6972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0191 10.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0888 10.7179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6078 11.5508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5325 11.2866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1025 11.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1325 10.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3882 10.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 12.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 11.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 11.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4634 13.1310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8021 13.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8772 14.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8872 15.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5486 14.3566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3049 14.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6874 13.4126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3697 14.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 15.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4735 14.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 14.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4720 13.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6313 12.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1114 13.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 14.8080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9710 15.5062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0461 15.7700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0562 16.7317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7176 16.0336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4738 16.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8563 15.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5387 16.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3226 17.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6424 15.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 16.5007 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 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 91 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 94109 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 117123 1 0 0 0 0 M END > LMISSP0502AG06 > > Galbeta1-3(Galbeta1-4GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O38 > 1894.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260217 > - > - > Active (generated by computational methods) > - $$$$