Accord 08271317192D 122128 0 0 0 0 0 0 0 0999 V2000 24.3204 7.5380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6458 7.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9710 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9304 6.8633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2237 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2237 5.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5491 6.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 8.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2697 8.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8694 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1894 6.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5093 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8293 6.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1494 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2907 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6107 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9306 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2506 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5705 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8906 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2105 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5304 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1494 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5304 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7853 6.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0402 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2951 6.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5499 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8049 6.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4108 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6722 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1950 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4564 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7178 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9792 5.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2406 5.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 9.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5159 10.0191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6434 9.7905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1924 10.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0596 10.3238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6563 10.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6222 9.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9865 9.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7077 10.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9321 10.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1267 10.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0907 10.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2235 10.3023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3511 10.0737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9001 10.8548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7672 10.6070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3640 10.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3298 9.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6941 10.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8899 11.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6398 10.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8343 11.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7923 9.4430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9252 9.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0528 9.4623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6018 10.2434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4689 9.9956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0657 10.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0315 9.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3958 9.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1170 9.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3415 10.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5360 10.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9095 9.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2107 8.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5167 9.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 9.7262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6329 9.9742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7604 9.7456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3094 10.5266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1766 10.2789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7733 10.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 9.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1035 9.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2993 11.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0491 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2437 10.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2017 9.1148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3346 9.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4621 9.1342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0111 9.9152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8783 9.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4750 9.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4409 8.9717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8051 9.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5264 9.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7508 9.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9454 10.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3188 8.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6201 8.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9260 8.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9034 8.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0362 8.7514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1638 8.5228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7128 9.3038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5799 9.0561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1767 9.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 8.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 8.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7027 9.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4525 9.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6471 9.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6364 9.5435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6446 8.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8914 8.5456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1895 7.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3446 8.7601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9801 8.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0578 9.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7521 8.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4529 7.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0977 8.9750 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 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 71 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 95102 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 70113 1 0 0 0 0 M END > LMISSP0505CK01 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261468 > - > - > Active (generated by computational methods) > - $$$$