Accord 08271317192D 98102 0 0 0 0 0 0 0 0999 V2000 21.2729 7.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5438 8.1658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8144 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6945 7.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8514 7.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0024 8.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0875 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0875 5.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3584 7.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9407 8.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1373 8.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6238 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8888 7.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1538 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4188 7.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6839 6.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0791 8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3441 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6091 8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8741 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1391 8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4043 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6692 8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9342 7.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6839 5.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9342 7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 6.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3235 7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5182 6.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7128 7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9075 6.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8856 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0874 5.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2891 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 5.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8942 5.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0959 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2976 5.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0074 10.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3405 10.1597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4033 10.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4604 10.1806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9729 11.0247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9101 10.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4743 11.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5182 10.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7503 10.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4490 10.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8532 11.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9827 11.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7821 10.4658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8449 10.7338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9020 10.4867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4145 11.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3517 11.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9159 11.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9598 10.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1919 10.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4035 11.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2948 11.3101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4243 11.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3711 10.7796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6034 10.1789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2490 9.2709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2796 9.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0471 9.9736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5874 9.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0130 10.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6777 8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8289 9.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4017 10.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 10.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 7.9362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7658 8.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8229 7.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3354 8.8013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2727 8.5335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8368 8.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 7.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1128 8.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8115 8.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2157 8.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3452 9.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 7.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 7.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3243 7.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 8.2424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2074 8.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2645 8.2633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7770 9.1074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7142 8.8397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2784 9.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 8.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 9.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6573 9.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 9.4327 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 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 82 88 1 0 0 0 0 M END > LMISSP0505DD01 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261596 > - > - > Active (generated by computational methods) > - $$$$