Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 21.6837 7.2593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9515 7.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2190 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1070 6.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 6.5272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4163 7.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4933 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4933 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7612 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3502 8.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5434 8.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0234 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2853 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5473 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8092 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0712 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3330 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8569 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1189 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3807 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6426 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9046 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1665 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4284 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6903 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9523 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2142 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4761 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4807 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7426 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0044 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2664 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5283 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7903 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0521 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3141 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5760 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8380 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0999 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3617 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6237 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8856 7.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4215 9.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7515 9.6841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8100 9.9533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8626 9.7051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3729 10.5532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3145 10.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8766 10.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9254 9.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1492 9.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8465 10.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2619 10.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3873 10.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1765 9.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2349 10.2609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2875 10.0127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7978 10.8608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7394 10.5918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3015 10.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3503 9.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5741 10.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7868 11.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6869 10.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8123 11.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 9.3278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6533 9.5970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7059 9.3488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2162 10.1969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1578 9.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7200 10.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7688 9.1723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9925 9.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6898 9.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 10.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2307 10.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6362 8.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9634 8.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2097 8.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0133 8.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0717 8.9331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1244 8.6849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6347 9.5330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5763 9.2639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1384 9.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1872 8.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 8.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6236 10.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5237 9.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 9.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1744 10.4084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4334 9.9909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8351 10.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8349 10.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7532 11.2278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2084 11.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0513 9.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 10.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 10.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3517 10.6236 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 95 96 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 94103 1 0 0 0 0 77 94 1 0 0 0 0 M END > LMISSP0504AC04 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O27 > 1456.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260631 > - > - > Active (generated by computational methods) > - $$$$