Accord 08271317192D 132138 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8508 7.4822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2782 7.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0923 6.5801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4926 6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4926 5.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9201 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 8.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5317 8.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3434 6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7663 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1892 6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6121 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0351 6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7009 7.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1238 7.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5467 7.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9696 7.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3925 7.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8155 7.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2384 7.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6613 7.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0351 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6613 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0289 6.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3967 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7643 6.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1320 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4997 6.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4083 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7816 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1548 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5280 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9012 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2744 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6476 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0209 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3941 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7673 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1405 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8869 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2602 5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7406 9.2580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0002 9.0641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6175 9.7269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3533 9.5166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0111 9.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8308 8.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4427 9.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2061 9.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0938 9.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4103 9.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6825 9.2880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9467 9.4984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2063 9.3044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8236 9.9672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5594 9.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2172 9.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0369 9.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6488 9.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8150 10.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2999 9.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6164 10.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8835 8.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1477 8.9796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4073 8.7856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0246 9.4484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7605 9.2381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4183 9.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2379 8.6477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8498 8.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6132 9.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5009 9.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8174 9.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1343 8.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3900 8.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8010 8.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0896 9.0095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3538 9.2199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6134 9.0260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2307 9.6888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9666 9.4785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6244 9.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4440 8.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0559 9.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2221 10.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7070 9.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0235 9.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2907 8.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5548 8.7011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8144 8.5071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4317 9.1699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1676 8.9597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8254 9.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6450 8.3692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2569 8.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0204 8.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 9.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2245 9.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5414 8.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7971 8.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2081 8.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4968 8.7311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7609 8.9415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0205 8.7475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6378 9.4103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3737 9.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0315 9.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8511 8.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 8.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 9.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1141 9.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4306 9.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6978 8.2122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9619 8.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2216 8.2287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8389 8.8914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5747 8.6812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2325 8.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0522 8.0907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 8.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 8.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3152 8.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6317 9.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 7.9292 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 M END > LMISSP0505BF04 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H158N4O38 > 1879.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261223 > - > - > Active (generated by computational methods) > - $$$$