Accord 08271317192D 98102 0 0 0 0 0 0 0 0999 V2000 17.0326 7.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2999 8.1798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5671 7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4561 7.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6090 7.0253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8415 6.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8415 5.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1089 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6988 8.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8915 8.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3708 6.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6323 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8938 6.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1553 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4169 6.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8283 8.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0898 7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3513 8.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6128 7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8742 8.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1359 7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 8.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6587 7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4169 5.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6587 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8495 6.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0404 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 6.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6128 6.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6148 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8126 5.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2084 5.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4063 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 5.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7705 10.4408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1005 10.1831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1588 10.4524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2113 10.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7216 11.0523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6633 10.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2254 11.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2743 10.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4979 10.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1951 10.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6108 11.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7361 11.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 10.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5834 10.7600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6359 10.5118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1462 11.3600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0878 11.0909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6499 11.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6988 10.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9225 10.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1351 11.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0354 11.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1607 11.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0978 10.8061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3264 10.2025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9703 9.2901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9963 9.3924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7675 9.9961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3055 9.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7379 10.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 8.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5434 9.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1237 10.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 10.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4907 12.3053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8172 13.0163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8753 13.2850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8855 14.2644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5591 13.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3109 13.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7004 12.5920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3586 13.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 14.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5010 13.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9251 14.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4811 12.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 12.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1139 12.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 14.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9341 14.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9922 14.9928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0024 15.9722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6760 15.2612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4278 15.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8173 14.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4755 15.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 16.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6179 14.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0421 15.7370 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 59 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 62 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 82 88 1 0 0 0 0 M END > LMISSP0506AN01 > > Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261916 > - > - > Active (generated by computational methods) > - $$$$