Accord 08271317192D 133139 0 0 0 0 0 0 0 0999 V2000 24.4118 7.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8279 7.5336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2439 7.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0742 6.6135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4626 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4626 5.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8787 6.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1458 8.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5024 8.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2904 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7018 6.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1133 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5247 6.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9362 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6550 7.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0665 7.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4779 7.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8893 7.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3006 7.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7122 7.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1236 7.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5350 7.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9362 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5350 6.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8900 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2452 6.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6002 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 6.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3104 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2969 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6576 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0184 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3791 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7398 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1005 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4613 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8220 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5435 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2649 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6256 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9864 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3471 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7078 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0685 5.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4293 5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4660 9.1303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7155 9.3449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9603 9.1470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5700 9.8230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3205 9.6086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 9.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8075 9.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3917 9.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1504 9.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0757 9.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3786 10.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6164 9.3754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8659 9.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1108 9.3922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7204 10.0682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4709 9.8538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1219 10.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9579 9.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5422 9.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7116 10.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2261 10.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5290 10.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7616 8.8463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0111 9.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2560 8.8630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8657 9.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6162 9.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2672 9.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1031 8.7224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6874 9.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4461 9.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3714 9.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6743 9.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9975 8.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2583 8.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6575 8.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9121 9.0914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1616 9.3060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4064 9.1082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0161 9.7842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7666 9.5697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4176 9.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2536 8.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8378 9.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 10.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5218 9.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8247 10.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 8.5622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3068 8.7768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5517 8.5790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1614 9.2550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9119 9.0406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5629 9.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3988 8.4383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9831 8.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7418 9.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6671 9.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9700 9.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2932 8.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5539 8.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9532 8.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 8.8074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4572 9.0220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7021 8.8242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3118 9.5002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0623 9.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7133 9.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5493 8.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1335 8.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3030 9.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8175 9.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1204 9.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 9.0587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8614 8.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5777 7.8505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8014 7.9320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4160 8.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0478 8.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 8.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1201 7.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 8.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6999 9.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0659 8.7393 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 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 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 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 119123 1 0 0 0 0 M END > LMISSP0505BL08 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C90H161N3O38 > 1892.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261275 > - > - > Active (generated by computational methods) > - $$$$