Accord 08271317192D 114119 0 0 0 0 0 0 0 0999 V2000 22.4389 7.7939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6957 8.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9524 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8685 7.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0092 7.0507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1823 8.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2308 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2308 5.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4877 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1003 8.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2815 8.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7390 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9900 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2409 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4918 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7429 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2031 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4540 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7049 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9559 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2067 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4578 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7087 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9596 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7429 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9596 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1388 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3181 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4973 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6766 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8559 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9293 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1157 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3021 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4886 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8614 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2343 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4207 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6071 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1874 10.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5078 10.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5526 10.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5916 10.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0948 11.1353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0500 10.8624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6058 11.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6697 10.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8679 10.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5609 10.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0111 11.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1239 11.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8812 10.5657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9261 10.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9651 10.5870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4683 11.4473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4235 11.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9793 11.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0432 10.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2414 10.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4571 12.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3846 11.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4974 11.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2481 9.8922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2929 10.1653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3319 9.9136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8352 10.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7903 10.5010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3462 10.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4101 9.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 10.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3012 10.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7514 10.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8643 11.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2756 9.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 9.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8429 9.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 10.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6664 10.4773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7054 10.2256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2086 11.0859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1638 10.8130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7196 11.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7835 10.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9818 10.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1975 11.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1249 11.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 11.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1453 10.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3629 9.9119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0017 8.9864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0137 9.0902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7959 9.7026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3274 9.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7803 9.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4194 8.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 10.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3504 10.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7775 11.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0944 12.4668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1390 12.7393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1494 13.7327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8326 13.0116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5808 13.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9759 12.0364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6149 13.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3554 14.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7879 12.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2039 13.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7534 11.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9180 11.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3810 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 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 86 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 > LMISSP0505CB02 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261397 > - > - > Active (generated by computational methods) > - $$$$