Accord 08271317192D 133139 0 0 0 0 0 0 0 0999 V2000 24.4118 7.1977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8280 7.5338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2439 7.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0743 6.6137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4626 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4626 5.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8787 6.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1458 8.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5025 8.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2905 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7019 6.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1134 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5248 6.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9363 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6551 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0665 7.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4780 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8894 7.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3007 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7123 7.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1237 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5351 7.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9363 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5351 6.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8902 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2454 6.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6004 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9555 6.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3107 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2970 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6578 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0185 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3793 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7400 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1008 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4615 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8222 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1830 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5437 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9045 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2652 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6260 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9867 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3474 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7082 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0689 5.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4297 5.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4660 9.1304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7155 9.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9604 9.1472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5701 9.8231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3206 9.6087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9716 9.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8075 9.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3918 9.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1505 9.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0757 9.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3786 10.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6165 9.3755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8660 9.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1109 9.3923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7206 10.0683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4711 9.8539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1221 10.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9580 9.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5423 9.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7118 10.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2262 10.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5291 10.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7618 8.8464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0113 9.0610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2562 8.8631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8659 9.5391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6164 9.3247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2674 9.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1033 8.7225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6876 9.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4463 9.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3716 9.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6745 9.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9977 8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2584 8.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6577 8.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9123 9.0915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1618 9.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4067 9.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0164 9.7843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7669 9.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4179 9.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2538 8.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8381 9.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0076 10.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5220 9.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8250 10.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0576 8.5624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3071 8.7770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5520 8.5791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1617 9.2551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9122 9.0407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5632 9.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3991 8.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9834 8.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7421 9.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6674 9.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 9.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2935 8.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5542 8.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9535 8.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2081 8.8075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4576 9.0221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7025 8.8243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3122 9.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0627 9.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7137 9.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 8.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1339 8.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 9.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 9.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 9.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4767 9.0588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8619 8.5778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5781 7.8506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8018 7.9321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4164 8.4133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0483 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1898 8.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1206 7.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 8.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 9.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0664 8.7394 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 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 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 > LMISSP0505BL06 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O38 > 1894.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261273 > - > - > Active (generated by computational methods) > - $$$$