Accord 08271317182D 138145 0 0 0 0 0 0 0 0999 V2000 24.3795 8.8228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7640 9.1771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1485 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7353 8.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0237 8.2074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 9.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3790 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3790 7.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7635 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0991 9.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4210 9.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1436 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5232 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9029 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2825 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6623 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0419 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4215 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8011 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1808 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5605 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9401 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3198 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6994 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0791 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4587 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8385 8.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5279 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9075 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2872 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6668 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0464 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4261 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8058 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1855 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5651 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9448 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3244 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7040 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0837 9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4634 8.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4367 10.8617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6449 11.0881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8483 10.8794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4365 11.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2282 11.3664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8601 11.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7419 10.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2484 11.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9939 11.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0250 11.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2895 11.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4306 11.1203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6389 11.3467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8422 11.1381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4304 11.8512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2222 11.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8540 11.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7359 10.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2424 11.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4212 12.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0189 11.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2835 12.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9878 12.9217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1961 13.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3996 12.9394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9878 13.6525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7795 13.4263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4113 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2932 12.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7997 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9785 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 13.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8408 13.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1064 13.1868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4578 12.6794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1584 11.9123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3394 11.9982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9878 12.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5995 12.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8038 12.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6758 11.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9587 12.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2874 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6186 12.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9824 11.6082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3338 11.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0345 10.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2156 10.4196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8639 10.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4755 10.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6798 10.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5518 9.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8348 10.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1635 11.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4947 11.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8585 10.0294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2099 9.5220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9106 8.7549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0916 8.8408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7400 9.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3516 9.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5559 9.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4278 8.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7109 9.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0395 10.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3707 9.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 8.4508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0860 7.9433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7866 7.1762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9677 7.2622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6161 7.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2277 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 7.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 6.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 7.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9156 8.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2467 8.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6106 6.8720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9620 6.3646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6627 5.5975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8437 5.6834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4921 6.1911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1038 6.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3081 6.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 5.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 5.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 6.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 6.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 7.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0944 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4808 6.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9378 5.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3420 6.3202 0.0000 C 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 3 29 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 6 43 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 44 53 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 49 54 1 0 0 0 0 43 44 1 0 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 55 64 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 60 65 1 0 0 0 0 52 55 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 66 75 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 71 76 1 0 0 0 0 63 66 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 73 77 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 84 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 95 99 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 106110 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 28132 1 0 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 M END > LMISSP0502AY06 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C92H167NO43 > 1974.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260361 > - > - > Active (generated by computational methods) > - $$$$