Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 24.2863 7.1812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5778 7.5891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8692 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6958 6.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8768 6.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 7.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1346 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1346 5.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4262 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 8.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1830 8.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7125 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9984 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2843 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5702 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8561 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1420 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4280 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7138 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9997 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2856 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5716 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8575 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1433 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7152 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0011 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2870 6.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5729 6.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1548 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4408 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7266 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0125 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2984 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5844 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8703 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1561 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4420 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7280 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0139 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2998 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5857 7.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8716 7.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3519 9.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4410 9.7871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5246 9.5470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0509 10.3674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9617 10.1072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 10.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5527 9.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8345 9.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 10.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8783 10.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0322 10.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8936 9.8242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9827 10.0847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0663 9.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5926 10.6650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5034 10.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0798 10.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0944 9.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3762 10.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5819 11.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4199 10.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5739 10.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9338 10.9494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0229 11.2098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1065 10.9697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6328 11.7901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5436 11.5299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1201 11.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1346 10.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4164 11.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6221 12.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4602 11.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6141 12.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0064 10.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3229 10.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5938 10.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4692 10.3071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5583 10.5676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6419 10.3275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1682 11.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0790 10.8876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6555 11.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6700 10.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9518 10.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1575 11.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9956 11.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1495 11.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0046 9.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0937 9.9253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1773 9.6852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7036 10.5056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6144 10.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1908 10.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2054 9.5145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 9.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6912 11.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 10.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 10.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0772 9.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3936 9.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6646 9.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 10.8190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1322 11.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2158 10.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7421 11.6598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6529 11.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2294 11.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2439 10.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 11.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 12.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5695 11.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7234 11.9759 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 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 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 M END > LMISSP0503AD03 > > Galbeta1-4GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260510 > - > - > Active (generated by computational methods) > - $$$$