Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6201 7.9805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9325 7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9101 6.8973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 6.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 5.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5025 6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 8.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2369 8.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8100 6.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1170 6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4241 6.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7312 6.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 6.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2393 7.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5463 7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8534 7.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1604 7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4674 7.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7746 7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0816 7.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3886 6.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6293 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8701 6.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1108 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3516 6.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5924 6.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2857 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5331 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7804 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0278 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2752 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5226 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7699 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0173 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2647 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5121 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7594 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0068 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7489 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9963 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2437 5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3713 9.8603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4877 10.1130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5987 9.8800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1391 10.6759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0227 10.4234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6118 10.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5960 9.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9292 10.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6452 10.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9118 10.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0911 10.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0164 10.1489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1329 10.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2438 10.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7843 10.9645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6679 10.7121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2570 10.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2412 10.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5744 10.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7740 11.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5570 10.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7363 11.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6555 9.5259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7719 9.7786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8829 9.5457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4234 10.3415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3070 10.0891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8961 10.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8803 9.3801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2135 9.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9294 10.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1961 10.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3753 10.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7559 9.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0629 8.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3556 9.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3007 9.8146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4171 10.0672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5281 9.8343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0685 10.6301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9521 10.3777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5412 10.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5254 9.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8586 10.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0582 11.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8412 10.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0205 10.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0848 10.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3610 9.5441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0269 8.6880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1130 8.7839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8366 9.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4032 9.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7472 9.3975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4883 8.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7898 9.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1709 10.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 9.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8309 9.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1893 9.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5957 8.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5694 7.4297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6858 7.6823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7968 7.4494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3372 8.2453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2208 7.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8099 8.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 7.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1273 7.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3269 8.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 8.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2892 8.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3105 7.2838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9114 6.5927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1394 6.7950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1788 6.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7711 7.2668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2584 7.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4927 6.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7357 6.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1788 6.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5432 7.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0418 9.6687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0501 8.8707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2827 8.6518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5674 7.9740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7254 8.8704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3540 8.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4712 9.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1407 8.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8358 7.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4929 9.0894 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 2 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 105112 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 133134 1 1 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 93133 1 0 0 0 0 M END > LMSP0505AI08 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C96H171N3O41 > 2022.14 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261043 > - > - > Active (generated by computational methods) > - $$$$