Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 21.9806 7.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2371 7.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4934 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4103 6.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5508 6.5468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7244 7.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7719 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7719 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0285 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6419 8.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8228 8.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2795 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5300 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7807 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0312 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2819 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5324 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7830 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0336 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2842 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5348 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7853 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2865 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5372 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7877 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0384 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2889 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7901 6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0407 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7437 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9943 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2448 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4955 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7460 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9967 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2472 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4979 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7484 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9990 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2496 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5001 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7508 7.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 7.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7297 10.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0495 9.7522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0934 10.0256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1315 9.7735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6343 10.6347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5903 10.3615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1457 10.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2106 9.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4072 9.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0998 10.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5523 10.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6643 10.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4195 10.0645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4634 10.3379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5015 10.0858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0043 10.9470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9604 10.6738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5158 10.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5807 9.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7772 10.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9931 11.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9224 10.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0343 11.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4698 12.2397 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5138 12.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5519 12.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0546 13.1222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0107 12.8490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5661 13.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6310 12.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8275 12.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 13.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9727 13.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0847 13.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8333 11.5656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8772 11.8390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9153 11.5870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4181 12.4481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3741 12.1749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9295 12.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9944 11.4078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1910 11.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4069 12.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 12.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4481 12.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 11.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 10.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 11.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1967 10.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2407 11.1649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2787 10.9129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7815 11.7740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7376 11.5008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2930 11.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 10.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7703 12.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 11.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8116 12.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7678 13.4078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0841 14.1297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1278 14.4025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1382 15.3968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8220 14.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5700 15.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9655 13.6990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6032 14.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 15.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7783 14.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1937 15.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7428 13.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9075 13.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 13.8073 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 3 32 2 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 87 94 1 0 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 105114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 116117 1 0 0 0 0 116118 2 0 0 0 0 90105 1 0 0 0 0 M END > LMSP0502AF04 > > Galbeta1-3(GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260207 > - > - > Active (generated by computational methods) > - $$$$