Accord 08271317182D 104108 0 0 0 0 0 0 0 0999 V2000 24.2752 7.2190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5564 7.6328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8376 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6908 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8597 6.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9944 7.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1067 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1067 5.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3879 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9478 8.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 8.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6639 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9393 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2148 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4903 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7658 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0413 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3167 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8677 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1432 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6942 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9697 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2452 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5206 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7962 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6226 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 6.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1127 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3881 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6636 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9391 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2146 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4901 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0411 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3165 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8675 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1429 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4185 7.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6939 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3419 9.6003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4173 9.8647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4869 9.6209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0060 10.4538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9307 10.1896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5007 10.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5306 9.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7863 9.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4891 10.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8611 10.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0022 10.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8311 9.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9064 10.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9761 9.9230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4952 10.7558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4198 10.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9898 10.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0198 9.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 10.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4843 11.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3503 10.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4914 11.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 12.0062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0535 12.2706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1232 12.0268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6423 12.8597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5669 12.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1369 12.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1669 11.8535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4226 12.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 13.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4974 12.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6385 13.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8381 12.6742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0808 12.0817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7312 11.1858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7749 11.2863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5321 11.8790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0785 11.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4849 11.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1675 10.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3302 11.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8818 12.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 12.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3409 11.3205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9987 10.8060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6763 10.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7632 9.0082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1336 9.7230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2011 9.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9222 11.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0356 9.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3095 8.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4559 10.4934 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 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 95 96 1 1 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 99104 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 95104 1 0 0 0 0 90 95 1 0 0 0 0 84 80 1 0 0 0 0 M END > LMSP0502AU06 > > Fucalpha1-2Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C74H137NO27 > 1471.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260329 > - > - > Active (generated by computational methods) > - $$$$