Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 23.3974 7.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6555 7.7128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9135 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8262 6.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9685 6.5439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1395 7.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1914 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1914 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4496 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0594 8.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2421 8.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7023 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9546 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2069 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4592 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7115 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9637 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2159 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4682 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7204 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9728 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4773 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7296 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9819 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2342 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4865 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7387 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9909 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2432 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 6.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1655 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4178 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6700 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9224 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1746 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4269 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6792 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9314 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1836 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4360 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6882 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9404 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1928 7.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 7.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1452 10.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4662 9.7433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5119 10.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5518 9.7646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0554 10.6241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0097 10.3515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5660 10.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6289 9.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8288 9.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5219 10.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9700 10.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0836 10.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8429 10.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8886 10.3279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9285 10.0763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4322 10.9359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3864 10.6632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9427 10.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0056 9.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2055 10.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4210 11.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3467 10.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4603 11.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8986 12.2263 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9442 12.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9841 12.2476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4878 13.1072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4421 12.8345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9983 13.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0612 12.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2611 12.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4766 13.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4023 13.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5159 13.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 13.4051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8433 13.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8831 13.4264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3868 14.2860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3411 14.0133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8973 14.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 13.2476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1601 13.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 14.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3014 14.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4150 14.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8259 13.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1575 12.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3937 13.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1677 12.7323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2134 13.0051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2532 12.7536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7569 13.6131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7112 13.3405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2674 13.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3304 12.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5302 12.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 14.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6715 13.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7851 13.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 12.4761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2709 13.0811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4638 11.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4846 10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8704 11.4673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8748 10.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 13.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 11.1924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 10.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 12.2194 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 79 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 108107 1 1 0 0 0 107109 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 108116 1 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0502BM05 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C80H146N2O32 > 1646.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260472 > - > - > Active (generated by computational methods) > - $$$$