Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6201 7.9804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9325 7.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9101 6.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 6.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 5.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5025 6.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 8.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2369 8.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8100 6.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1170 6.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4241 6.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7311 6.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 6.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2392 7.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5463 7.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8533 7.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1604 7.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4673 7.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7746 7.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0815 7.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 7.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6293 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8701 6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1108 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3515 6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5923 6.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2856 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5330 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7804 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0277 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2751 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5225 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7699 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0172 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2646 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5120 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2541 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5014 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7488 5.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3713 9.8601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4877 10.1128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5987 9.8799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1391 10.6757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0227 10.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6118 10.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5960 9.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9292 10.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6451 10.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9118 10.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0911 10.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0164 10.1488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1328 10.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2438 10.1685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7843 10.9644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6679 10.7119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2570 10.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2411 10.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5744 10.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7739 11.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5570 10.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 11.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6555 9.5258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7719 9.7784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8828 9.5455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4233 10.3414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3069 10.0889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8960 10.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8802 9.3799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2134 9.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9293 10.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1960 10.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3753 10.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7558 9.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0628 8.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3555 9.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3006 9.8144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4170 10.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5280 9.8341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0684 10.6300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9520 10.3775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5411 10.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5253 9.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8585 10.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0581 11.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8411 10.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 10.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0847 10.1103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3609 9.5439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0268 8.6878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1129 8.7838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8365 9.3503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4030 9.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7471 9.3973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4882 8.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7897 9.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1708 10.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4243 9.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8308 9.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1892 9.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5956 8.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5693 7.4295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6857 7.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7966 7.4492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3371 8.2451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2207 7.9926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8098 8.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 7.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1272 7.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3267 8.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1098 8.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 8.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3104 7.2836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9113 6.5925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1393 6.7948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1786 6.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7710 7.2666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2582 7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4926 6.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 6.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 6.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 7.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 9.6685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0500 8.8705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2826 8.6516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5673 7.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7253 8.8702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3539 8.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4711 9.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1406 8.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8357 7.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4928 9.0892 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 91131 1 0 0 0 0 M END > LMSP0505AI05 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C94H169N3O41 > 1996.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261040 > - > - > Active (generated by computational methods) > - $$$$