Accord 08271317192D 134140 0 0 0 0 0 0 0 0999 V2000 23.8713 7.8154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1219 8.2468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3723 7.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3045 7.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4380 7.0660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6210 8.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6530 6.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6530 5.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9036 7.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5298 8.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7041 8.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1486 6.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3932 7.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6379 6.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8825 7.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1272 6.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6166 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8612 7.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1058 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3504 7.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5949 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8397 7.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0842 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3289 7.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1272 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3289 7.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5011 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6735 7.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8458 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0181 7.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1904 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3067 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4863 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6658 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8454 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0249 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2045 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3840 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5636 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7431 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9227 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1022 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2818 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6261 10.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9408 10.2960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9775 10.5714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0084 10.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5075 11.1851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4707 10.9099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0228 11.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0956 10.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2786 10.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9690 10.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4399 11.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5452 11.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2836 10.6106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3204 10.8860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3512 10.6321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8503 11.4997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8135 11.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3656 11.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4385 10.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6215 10.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8390 12.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7827 11.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8881 11.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7779 10.9332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9889 10.3158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6247 9.3825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6284 9.4871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4172 10.1047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9447 9.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4098 10.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0375 8.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1652 9.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7816 11.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9679 10.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0358 8.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0726 8.2862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1035 8.0323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6025 8.8999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5657 8.6247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1178 8.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1907 7.8518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3737 8.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5912 9.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5349 8.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6403 9.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0551 7.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3898 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6188 7.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5301 8.3334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7411 7.7160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3769 6.7827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3806 6.8873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1694 7.5049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6969 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1620 7.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7897 6.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0283 7.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 8.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7201 7.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2534 7.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6440 7.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 6.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2027 12.4666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5138 13.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5504 13.4688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5608 14.4706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2498 13.7433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9959 14.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3944 12.7600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0218 14.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9390 14.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2132 13.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6242 14.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1700 12.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3359 12.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7944 12.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2537 14.2135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5648 14.9408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6014 15.2156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6118 16.2174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3008 15.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0469 15.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4453 14.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0728 15.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8893 16.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2642 15.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 15.9768 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 2 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 89 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 116121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 70110 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 118124 1 0 0 0 0 M END > LMISSP0506AI07 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C90H160N4O38 > 1905.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261882 > - > - > Active (generated by computational methods) > - $$$$