Accord 08271317192D 132138 0 0 0 0 0 0 0 0999 V2000 24.3401 7.4650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6849 7.8422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0296 7.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9613 6.8098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2750 6.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2750 5.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6199 6.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0416 8.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3197 8.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9598 6.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2994 6.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 6.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9787 6.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3184 6.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3689 7.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7085 7.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 7.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3878 7.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7273 7.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0671 7.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4066 7.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7462 7.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3184 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7462 6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0226 6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2990 6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5754 6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8518 6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1282 6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6011 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8838 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1665 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4493 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7320 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0147 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2975 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5802 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8629 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1457 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4284 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7111 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2766 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8421 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4075 5.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4008 9.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5587 9.8744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7115 9.6524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2735 10.4109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1156 10.1703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7240 10.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6620 9.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0735 9.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8028 10.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9630 10.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1808 10.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2036 9.9087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3615 10.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5142 9.9275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0763 10.6860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9184 10.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5268 10.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4647 9.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8763 10.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0664 11.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7657 10.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9835 10.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0005 9.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1584 9.5557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3112 9.3338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8732 10.0922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7153 9.8516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3237 10.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2617 9.1759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6732 9.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4025 9.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5627 10.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7805 10.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1431 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4357 8.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7617 8.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8033 9.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9612 9.8308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1139 9.6088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6760 10.3673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5181 10.1267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1265 10.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0644 9.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4760 9.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6661 10.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3654 10.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 10.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6002 8.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7581 9.2371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9109 9.0151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4729 9.7736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3150 9.5330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9234 9.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 8.8573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2729 9.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0022 9.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1624 9.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3802 10.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7428 8.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0354 8.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 8.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 9.2713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5609 9.5121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7137 9.2902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2757 10.0486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1178 9.8080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7262 10.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6641 9.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0757 9.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 10.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 10.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 10.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 9.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8229 8.4737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0872 8.6664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1716 8.4574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7362 9.1161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2475 8.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3769 8.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7024 8.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 7.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 8.9235 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 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 1 0 0 0 0 M END > LMISSP0505AM06 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O37 > 1878.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261073 > - > - > Active (generated by computational methods) > - $$$$