Accord 08271317182D 127133 0 0 0 0 0 0 0 0999 V2000 22.9191 7.2977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1730 7.7274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4266 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3505 6.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4878 6.5516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6656 7.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7061 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7061 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9599 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 8.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7571 8.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2082 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4560 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7040 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9518 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1996 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4474 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6954 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9432 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4389 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6868 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9346 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1825 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4303 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6782 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6741 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9220 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1698 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4177 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6655 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9134 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1613 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4091 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6569 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9048 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1527 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4005 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6484 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6709 10.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9882 9.7682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0289 10.0425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0636 9.7896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5646 10.6537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5240 10.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0779 10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1465 9.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3367 9.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0283 10.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4894 10.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5983 10.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3456 10.0816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3863 10.3559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4210 10.1030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9220 10.9671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8814 10.6930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4353 10.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5039 9.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6941 10.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9108 11.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8468 10.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9557 11.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3857 12.2644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.4263 12.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4610 12.2858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9621 13.1499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9215 12.8758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4753 13.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5439 12.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7342 12.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9508 13.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8868 13.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9957 13.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7365 11.5879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7771 11.8622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8118 11.6093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3129 12.4735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2722 12.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8261 12.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8947 11.4295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 11.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3016 12.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2376 12.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 12.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7597 11.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0930 10.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3251 11.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0873 10.9115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1279 11.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1626 10.9329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6636 11.7970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6230 11.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1769 11.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2455 10.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4357 11.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6524 12.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5884 11.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 12.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6638 13.4365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9777 14.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0181 14.4347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0285 15.4325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7148 14.7081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4619 15.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8587 13.7287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 14.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4092 15.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6744 14.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0877 15.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6353 13.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8006 13.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2612 13.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7266 15.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0405 15.9009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0809 16.1746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0913 17.1724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7775 16.4480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5246 16.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 15.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 16.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 17.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7371 16.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 16.9327 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 74 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 103104 1 1 0 0 0 105104 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 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 114115 1 0 0 0 0 114116 2 0 0 0 0 88103 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 111117 1 0 0 0 0 M END > LMSP0502AG03 > > Galbeta1-3(Galbeta1-4GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O38 > 1810.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260214 > - > - > Active (generated by computational methods) > - $$$$