Accord 08271317182D 130136 0 0 0 0 0 0 0 0999 V2000 24.3404 8.5584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6862 8.9350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0317 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9622 7.9041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2768 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2768 6.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6225 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0424 9.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3214 9.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9634 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3038 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6443 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9848 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3254 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6658 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0063 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3468 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6872 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0278 7.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3683 7.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3767 6.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0370 6.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0454 5.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 5.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7265 5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 5.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4074 5.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7499 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0883 5.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4309 5.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7694 5.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3719 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7124 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0529 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3934 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7338 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0744 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4148 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7553 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0958 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4364 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7768 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1172 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4578 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7982 8.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5595 10.9665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7127 10.7446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2750 11.5027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1166 11.2622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7252 11.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6627 10.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0751 10.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8045 11.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 11.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1818 11.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2056 11.0008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3640 11.2414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5172 11.0196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0795 11.7776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9211 11.5372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5297 11.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4672 10.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8795 11.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0696 12.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7680 11.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9862 12.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0043 10.4073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1626 10.6480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3159 10.4261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8781 11.1842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7198 10.9437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3284 11.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2658 10.2684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6782 10.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4076 10.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5666 11.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 11.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 10.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4398 9.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7661 10.0837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8029 9.8139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9613 10.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1145 9.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6768 10.5908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5184 10.3503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1270 10.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0645 9.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4769 10.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 11.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 10.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5836 10.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6016 9.2205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7600 9.4611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9132 9.2393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4755 9.9973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3171 9.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9257 9.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 9.0815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 9.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0049 9.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1640 9.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3822 10.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7447 8.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0371 8.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3634 8.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 8.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5586 8.8677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7118 8.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2741 9.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1158 9.1634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7244 9.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 8.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 8.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2643 9.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 9.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 9.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2012 8.4881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8210 7.8298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0857 8.0225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1707 7.8135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7349 8.4719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2465 8.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 7.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7012 7.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 7.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 8.2793 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 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 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 M END > LMISSP0504AN05 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260720 > - > - > Active (generated by computational methods) > - $$$$