Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.4090 7.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8223 7.5414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2354 7.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0698 6.6168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4551 6.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4551 5.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8684 6.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 8.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4952 8.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2773 6.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6859 6.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0944 6.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5030 6.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9116 6.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6437 7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0522 7.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4608 7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8694 7.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2779 7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6866 7.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0951 7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5036 7.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9116 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5036 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8556 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2076 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5595 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9115 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2635 6.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2693 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6269 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9845 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3422 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6998 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0574 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4150 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7727 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1303 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4879 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8456 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2032 5.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4634 9.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7092 9.3614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9505 9.1626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5582 9.8419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3124 9.6264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9617 9.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8017 9.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3791 9.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1366 9.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0712 9.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3708 10.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6000 9.3921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8458 9.6078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0871 9.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6948 10.0883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4490 9.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0983 10.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9383 9.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5157 9.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6860 10.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2079 10.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5074 10.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7314 8.8604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9773 9.0760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2185 8.8772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8263 9.5565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5804 9.3410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2297 9.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0697 8.7359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6471 9.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4046 9.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3393 9.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6388 9.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9636 8.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2256 8.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6219 8.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8680 9.1067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1139 9.3224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3551 9.1236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9629 9.8029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7170 9.5874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3663 9.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2063 8.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7837 9.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9540 10.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4759 9.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7754 10.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9994 8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2453 8.7906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4865 8.5918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0943 9.2711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8484 9.0556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4977 9.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3377 8.4505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 8.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6727 9.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6073 9.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9068 9.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2316 8.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4936 8.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8900 8.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 8.8213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3819 9.0370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6231 8.8382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2309 9.5175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9851 9.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6344 9.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 8.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0518 8.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2221 9.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 9.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0434 9.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 9.0739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7735 8.5905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4884 7.8598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7083 7.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3259 8.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9560 8.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1031 8.4654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 7.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4325 8.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6112 9.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9741 8.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1746 8.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 8.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9738 8.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0616 8.6968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0687 8.0158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4137 7.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8032 7.2504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9381 8.0155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6211 7.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 8.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2925 7.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0323 6.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5931 8.2024 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 112131 1 0 0 0 0 M END > LMISSP0505AQ03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C92H164N4O42 > 1997.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261102 > - > - > Active (generated by computational methods) > - $$$$