Accord 08271317192D 114119 0 0 0 0 0 0 0 0999 V2000 21.5738 7.7939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8307 8.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0874 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0035 7.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1442 7.0507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3173 8.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3658 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3658 5.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6227 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2353 8.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4165 8.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8740 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1249 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3759 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6268 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8779 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3380 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5890 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8399 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0909 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3417 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5928 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8437 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0946 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8779 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0946 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2738 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4531 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6323 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8115 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9909 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0643 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2507 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4371 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6236 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8100 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9964 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1828 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3692 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5557 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7421 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3224 10.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6427 10.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6876 10.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7266 10.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2298 11.1353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1850 10.8624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7408 11.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8047 10.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0029 10.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6958 10.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1461 11.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2589 11.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0162 10.5657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0611 10.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1000 10.5870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6033 11.4473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5584 11.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1143 11.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1782 10.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3764 10.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 12.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5195 11.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6324 11.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5399 10.8855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7575 10.2734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3964 9.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4084 9.4516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1906 10.0640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7220 9.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1749 10.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 8.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9490 9.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5519 10.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7451 10.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8207 7.9877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8656 8.2608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9046 8.0090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4078 8.8693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3630 8.5964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9188 8.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9827 7.8300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 8.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8738 8.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 8.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4369 9.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8482 7.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1801 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4156 7.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1942 8.2997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2391 8.5728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2781 8.3210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7813 9.1813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7364 8.9084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2923 9.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3562 8.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7701 9.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6976 9.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8104 9.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9125 11.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2294 12.4668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2740 12.7393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2844 13.7327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9676 13.0116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7158 13.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1109 12.0364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7499 13.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4903 14.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9229 12.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3388 13.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8884 11.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0530 11.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5160 12.1447 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 84 90 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 62101 1 0 0 0 0 M END > LMISSP0505DQ02 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261685 > - > - > Active (generated by computational methods) > - $$$$