Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 23.3466 7.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6084 7.7009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8700 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7733 6.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9198 6.5376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0852 7.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1465 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1465 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4084 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0103 8.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1970 8.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6646 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9205 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1764 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4323 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6882 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9441 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2001 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4559 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7119 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9677 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2236 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4795 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7354 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9913 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2472 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5031 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7590 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0149 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7826 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0385 6.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1256 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3815 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6373 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8933 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1491 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4051 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6609 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9169 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1727 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4287 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6845 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9404 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1963 7.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4522 7.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0905 9.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4150 9.7203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4657 9.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5106 9.7415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0169 10.5965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9662 10.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5247 10.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5821 9.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7914 9.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4862 10.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9214 10.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0397 10.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8107 10.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8615 10.3018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9064 10.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4127 10.9066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3619 10.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9205 10.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9778 9.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1872 10.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4015 11.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3171 10.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4354 11.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8820 12.1902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9327 12.4616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9776 12.2114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4839 13.0664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4331 12.7952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9917 13.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0491 12.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2584 12.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4727 13.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3883 13.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5066 13.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4270 12.5081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6494 11.8996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2905 10.9799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3086 11.0829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0860 11.6916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6203 11.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0643 11.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7118 10.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8521 11.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4451 12.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6432 12.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8804 10.6152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1028 10.0068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7439 9.0870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7620 9.1901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5394 9.7987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0737 9.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5177 9.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1652 8.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3055 9.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8985 10.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0966 10.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 7.7352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2287 8.0066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2736 7.7564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7799 8.6114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7292 8.3402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2877 8.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 7.5785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 9.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 8.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 8.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2115 7.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 7.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 7.3701 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 2 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 78 82 1 0 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 89 93 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 115116 1 0 0 0 0 115117 2 0 0 0 0 100104 1 0 0 0 0 M END > LMISSP0502AQ07 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O33 > 1660.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260298 > - > - > Active (generated by computational methods) > - $$$$