Accord 08271317182D 146153 0 0 0 0 0 0 0 0999 V2000 24.3404 8.5631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6861 8.9398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6223 7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 9.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3213 9.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9631 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3035 7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6439 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3248 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6652 7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0056 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3461 7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6864 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0269 7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3673 7.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3758 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0361 6.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0446 5.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3869 5.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7255 5.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0678 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4063 5.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7487 5.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0871 5.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4296 5.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7680 5.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 5.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4489 5.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3717 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7121 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0525 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3929 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7333 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0738 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4142 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7546 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0951 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4355 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7759 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1163 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4568 8.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7972 8.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 10.9714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 10.7495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 11.5077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 11.2672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 11.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6626 10.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 10.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8042 11.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 11.0057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 11.2464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5167 11.0245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0789 11.7826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9206 11.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5292 11.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 10.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 11.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0690 12.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7676 11.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 12.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 10.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1619 10.6529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3150 10.4310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8773 11.1891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7190 10.9487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3276 11.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2651 10.2733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6773 10.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4067 10.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5659 11.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7841 11.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1466 10.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4391 9.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7653 10.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8020 9.8187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9603 10.0594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1134 9.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6756 10.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5173 10.3552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1259 10.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 9.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4757 10.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6658 11.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3643 10.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5825 10.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6003 9.2252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7586 9.4659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9117 9.2440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4740 10.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3157 9.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9243 9.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8618 9.0863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 9.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0034 9.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1627 9.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3808 10.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7433 8.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0358 8.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 8.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3987 8.6318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5570 8.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7101 8.6506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2723 9.4087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1140 9.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7226 9.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 8.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0724 8.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 9.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 9.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 9.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 8.4928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8193 7.8345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0839 8.0271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1688 7.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7330 8.4766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2446 8.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 7.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 7.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 7.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 8.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9836 11.4406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3816 12.0762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5397 12.3163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5488 13.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1509 12.5563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9290 12.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 11.6969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0778 12.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0055 13.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9928 12.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4781 12.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0811 11.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2261 11.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7529 11.7923 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 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 > LMISSP0504AX06 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C98H176N4O42 > 2081.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260801 > - > - > Active (generated by computational methods) > - $$$$