Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 23.2105 7.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4669 7.7189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7231 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6403 6.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7807 6.5470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9544 7.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0017 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0017 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2580 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8717 8.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0525 8.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7593 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0099 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2603 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5107 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7612 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0117 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5125 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7629 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0135 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2639 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5144 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0152 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2657 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5161 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9731 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2237 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4741 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7246 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9750 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2255 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4760 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7263 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9768 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2273 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4777 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7282 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9787 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 7.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9597 10.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2794 9.7526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3233 10.0260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3613 9.7740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8642 10.6351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8202 10.3619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3755 10.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4405 9.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6370 9.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3296 10.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7823 10.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8942 10.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6493 10.0649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6933 10.3383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7314 10.0863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2341 10.9474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1902 10.6742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7456 10.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8105 9.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0070 10.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2229 11.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1522 10.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2642 11.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6996 12.2402 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7435 12.5136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7816 12.2616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2843 13.1227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2404 12.8495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7958 13.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8608 12.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0572 12.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2731 13.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2025 13.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3144 13.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5929 13.4212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6368 13.6946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6749 13.4425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1777 14.3037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1337 14.0305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6891 14.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 13.2634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9506 13.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 14.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0957 14.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2077 14.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6194 13.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9516 12.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1864 13.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9562 12.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0002 13.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0382 12.7684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5410 13.6296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4971 13.3564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0525 13.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1174 12.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3139 12.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 14.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4591 13.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 13.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6438 12.6332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0500 13.2601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1962 11.8949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1872 11.0314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5932 11.6582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5777 11.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 11.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6744 10.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 12.3967 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 75 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 85 92 1 0 0 0 0 104103 1 1 0 0 0 103105 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 104112 1 0 0 0 0 99103 1 0 0 0 0 M END > LMISSP0502BM03 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C76H138N2O32 > 1590.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260470 > - > - > Active (generated by computational methods) > - $$$$