Accord 08271317182D 87 90 0 0 0 0 0 0 0 0999 V2000 18.1863 7.2659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4517 7.6890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7167 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6109 6.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7616 6.5313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9212 7.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9920 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9920 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8516 8.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0421 8.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5173 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7768 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0362 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2957 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5552 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8147 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3337 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5931 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8526 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1121 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3716 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6311 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8905 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9759 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2354 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4949 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7544 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0138 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2733 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5328 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0518 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3113 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5707 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8302 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0898 7.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 7.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9261 9.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2542 9.6973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3100 9.9673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3599 9.7184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8688 10.5689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8131 10.2991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3740 10.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4257 9.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6445 9.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3409 10.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7632 10.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8862 10.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6690 10.0058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7248 10.2758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7748 10.0269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2837 10.8774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2279 10.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7888 10.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8406 9.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0594 10.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2726 11.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1781 10.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3010 11.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7558 12.1541 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8115 12.4241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8615 12.1752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3704 13.0257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3146 12.7559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8755 13.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 11.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1461 12.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3593 13.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2648 13.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3877 13.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1641 11.4884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2198 11.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2698 11.5094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7787 12.3599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7230 12.0902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2839 12.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 11.3325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7676 12.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 12.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 12.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 11.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 10.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 11.1252 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 M END > LMSP0502AB01 > > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260172 > - > - > Active (generated by computational methods) > - $$$$