Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 24.1806 7.3068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4311 7.7384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6813 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6138 6.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7473 6.5573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9304 7.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9622 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9622 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2127 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8391 8.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0133 8.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4576 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7021 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9466 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1911 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4356 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6801 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9246 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1692 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4137 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6582 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9027 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3917 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6362 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1252 6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9255 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1700 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4145 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6590 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9035 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1481 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3926 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6371 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8816 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1261 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3706 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6151 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8597 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 7.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9354 10.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2499 9.7873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2865 10.0628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3173 9.8088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8163 10.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7796 10.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3316 10.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4047 9.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5874 10.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2777 10.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7490 10.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8542 11.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5922 10.1020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6289 10.3774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6596 10.1235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1586 10.9912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1219 10.7160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6740 10.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7470 9.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9298 10.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1473 11.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0913 10.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1965 11.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 12.2938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6567 12.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6874 12.3153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1864 13.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1498 12.9078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7018 13.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7748 12.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 12.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1751 13.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1191 13.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2243 13.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9557 11.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9924 11.8900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0231 11.6361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5221 12.5038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4854 12.2285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0375 12.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1105 11.4555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2933 11.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5108 12.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4548 12.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5600 12.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 11.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3096 11.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 11.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8745 13.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9112 13.7463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9419 13.4923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4409 14.3600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4043 14.0848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9563 14.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0293 13.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 13.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9023 14.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3736 14.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4788 14.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8937 13.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2284 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4573 13.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 13.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2535 14.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2843 13.8070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7832 14.6747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7466 14.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2986 14.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3716 13.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 14.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 15.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 14.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 15.0090 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 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 98104 1 0 0 0 0 M END > LMISSP0502BG02 > > Galbeta1-4GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260421 > - > - > Active (generated by computational methods) > - $$$$