Accord 08271317192D 141148 0 0 0 0 0 0 0 0999 V2000 24.4117 7.1964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8277 7.5325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2436 7.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0741 6.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4623 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4623 5.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8783 6.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1457 8.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5022 8.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7013 6.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1126 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5239 6.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9353 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6546 7.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0660 7.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4773 7.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8886 7.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2998 7.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7113 7.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1226 7.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5339 7.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9353 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5339 6.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8888 6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2439 6.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5988 6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9538 6.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3088 6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2959 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6566 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0172 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3778 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7384 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0990 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4597 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8203 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1809 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5415 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9021 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2627 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6234 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 5.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4659 9.1295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7152 9.3441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9600 9.1462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5696 9.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3202 9.6079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9712 9.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8073 9.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3913 9.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1499 9.5801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0756 9.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3783 10.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6158 9.3747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8652 9.5893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1099 9.3914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7195 10.0675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4702 9.8531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1211 10.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9572 9.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5412 9.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7107 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2255 10.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5283 10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7606 8.8454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0099 9.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2547 8.8622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8643 9.5383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6149 9.3238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2659 9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1020 8.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6860 9.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4447 9.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3703 9.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6730 9.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9963 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2571 8.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6563 8.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9105 9.0906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1599 9.3052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4046 9.1074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0142 9.7835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7649 9.5690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4158 9.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2519 8.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8359 9.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0055 10.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5202 9.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8230 10.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0553 8.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3047 8.7760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5494 8.5781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1590 9.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9097 9.0397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5606 9.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3967 8.4374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9807 8.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 9.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6650 9.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 9.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 8.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5518 8.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 8.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2052 8.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4546 9.0212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6994 8.8233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3090 9.4994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0596 9.2849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7105 9.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5466 8.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1306 8.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3002 9.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8149 9.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1177 9.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 9.0579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8584 8.5768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5745 7.8495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7981 7.9310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4128 8.4123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0446 8.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1864 8.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1169 7.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 8.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6968 9.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0627 8.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1358 8.6826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1428 8.0047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4909 7.8187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8832 7.2429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0175 8.0044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7019 7.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5005 8.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3703 7.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1112 6.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 8.1905 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 110111 1 1 0 0 0 112111 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 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 117121 1 0 0 0 0 132133 1 1 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 136141 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 132141 1 0 0 0 0 116132 1 0 0 0 0 M END > LMISSP0505AO07 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C94H167N3O42 > 2010.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261090 > - > - > Active (generated by computational methods) > - $$$$