Accord 08271317182D 136143 0 0 0 0 0 0 0 0999 V2000 24.3795 8.8229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7640 9.1772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1485 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7353 8.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0237 8.2075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 9.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3790 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3790 7.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7635 8.1992 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 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5232 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9030 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2826 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6623 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0419 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4215 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8013 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1809 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5606 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9403 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3199 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6995 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0793 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4589 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8386 8.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5279 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9076 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2872 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6668 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0465 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4262 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8059 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1856 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5651 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9449 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3245 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7041 8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0839 9.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4634 8.8229 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 10.8618 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 22.4366 11.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2283 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 22.2485 11.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9939 11.3371 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 11.1204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6389 11.3468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8423 11.1381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4305 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 19.8541 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 19.2425 11.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4213 12.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0190 11.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2835 12.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9879 12.9217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1962 13.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3997 12.9394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9879 13.6526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7796 13.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4114 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2933 12.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7998 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9786 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 13.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8409 13.9273 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 15.4579 12.6794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1586 11.9123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3396 11.9983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9880 12.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5997 12.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8039 12.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6759 11.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9589 12.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2875 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6187 12.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9826 11.6082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3340 11.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0346 10.3337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2157 10.4196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8641 10.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4757 10.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6800 10.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 9.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8349 10.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1637 11.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4948 11.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8587 10.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2101 9.5221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9107 8.7549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0918 8.8409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7402 9.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3518 9.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 9.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4281 8.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 9.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0397 10.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3709 9.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7347 8.4508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0862 7.9434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7869 7.1763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9680 7.2623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6162 7.7699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2279 7.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 7.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 6.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 7.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 8.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2470 8.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6108 6.8722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9623 6.3648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6630 5.5977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8440 5.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4924 6.1912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1040 6.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 6.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 5.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4633 5.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 6.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 6.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 7.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6796 6.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6796 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1342 5.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4812 6.3414 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 M END > LMISSP0502AY05 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C90H163NO43 > 1946.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260360 > - > - > Active (generated by computational methods) > - $$$$