Accord 08271317182D 119124 0 0 0 0 0 0 0 0999 V2000 24.2256 7.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4845 7.7104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7432 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6539 6.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7971 6.5426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9670 7.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0208 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0208 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2798 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8880 8.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0715 8.4255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5331 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7861 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0392 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2921 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5452 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7981 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0512 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3042 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5572 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8102 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0631 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5692 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8222 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0752 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5812 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8343 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3403 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5932 6.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8462 6.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9959 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2489 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5018 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7549 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0078 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2609 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5139 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7669 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0199 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2729 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5259 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7789 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0319 7.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2849 7.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9723 9.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2942 9.7377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3412 10.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3824 9.7590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8868 10.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8398 10.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3966 10.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4581 9.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6604 9.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3540 10.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7987 10.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9135 10.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6759 10.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7230 10.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7642 10.0703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2685 10.9286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2215 10.6563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7783 10.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8398 9.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0421 10.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2574 11.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1804 10.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2952 11.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7358 12.2172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7828 12.4897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8240 12.2385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3283 13.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2813 12.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8382 13.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8996 12.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1020 12.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3172 13.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2402 13.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3551 13.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1109 11.5453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1579 11.8177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1991 11.5665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7035 12.4249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6565 12.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2133 12.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 11.3879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4771 11.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 12.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6154 12.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7302 12.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 11.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4717 10.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7089 11.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0521 13.3815 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0992 13.6540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1404 13.4028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6447 14.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5977 13.9889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1545 14.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 13.2242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4183 13.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1120 13.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5566 14.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6714 14.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0818 13.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4130 12.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6502 13.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 12.7466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8535 13.4920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5905 12.9648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7630 12.7281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1933 13.4736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6403 13.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 14.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 12.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 12.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 13.2556 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 2 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 3 34 2 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 111110 1 1 0 0 0 110112 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 111119 1 0 0 0 0 103110 1 0 0 0 0 M END > LMISSP0502BH07 > > Fucalpha2-3GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O32 > 1686.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260434 > - > - > Active (generated by computational methods) > - $$$$