Accord 08271317182D 146153 0 0 0 0 0 0 0 0999 V2000 24.3404 8.5629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6861 8.9396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6223 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 9.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3213 9.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9631 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3034 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6439 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3248 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0056 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3460 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6864 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0268 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3673 7.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 6.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0445 5.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3868 5.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7254 5.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0677 5.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4062 5.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7486 5.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 5.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4295 5.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7679 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1103 5.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4488 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3716 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7121 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0524 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3929 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7332 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0738 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4141 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7546 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0950 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4355 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7758 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1162 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4567 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7971 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 10.9713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 10.7494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 11.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 11.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 11.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6626 10.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 10.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 11.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 11.0055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 11.2462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5166 11.0243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0788 11.7825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9206 11.5420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5291 11.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 10.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 11.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0690 12.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 11.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9857 12.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 10.4120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1618 10.6527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 10.4308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8772 11.1890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7189 10.9485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3275 11.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2650 10.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6772 10.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 10.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5659 11.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7840 11.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1465 10.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4390 9.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7652 10.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 9.8186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9602 10.0592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1133 9.8374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6755 10.5955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5172 10.3550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1258 10.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 9.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4756 10.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6657 11.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 10.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5824 10.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6002 9.2251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7585 9.4657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9116 9.2439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4738 10.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3156 9.7615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9241 9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8617 9.0861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2739 9.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0033 9.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 9.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 10.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 8.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0357 8.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3619 8.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3986 8.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5568 8.8723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7100 8.6504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2722 9.4085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1139 9.1680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7225 9.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6600 8.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 8.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 9.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9609 9.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 9.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 8.4926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8191 7.8343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0838 8.0269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1686 7.8180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7329 8.4764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2444 8.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 7.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 7.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1686 7.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 8.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 11.4404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3815 12.0760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5396 12.3162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5487 13.1916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1508 12.5561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9289 12.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2771 11.6968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0777 12.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0053 13.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9927 12.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4780 12.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 11.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 11.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7528 11.7922 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 2 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 80 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 135134 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 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 97133 1 0 0 0 0 M END > LMISSP0504AX08 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C98H174N4O42 > 2079.16 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260803 > - > - > Active (generated by computational methods) > - $$$$