Accord 08271317192D 139146 0 0 0 0 0 0 0 0999 V2000 24.4117 7.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8277 7.5324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2435 7.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0741 6.6122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4623 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4623 5.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8783 6.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1456 8.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5021 8.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2899 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7012 6.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1125 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5238 6.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9352 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6546 7.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0659 7.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4772 7.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8885 7.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2998 7.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7112 7.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1225 7.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5338 7.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9352 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5338 6.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8887 6.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2437 6.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5987 6.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9536 6.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3086 6.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2958 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6564 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0171 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3777 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7383 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0989 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4595 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8201 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5413 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9019 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2625 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6231 5.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9837 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4659 9.1294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7152 9.3440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9600 9.1461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5696 9.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3202 9.6078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9711 9.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8073 9.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3912 9.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1499 9.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0755 9.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3783 10.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6158 9.3746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8651 9.5892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1099 9.3913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7194 10.0675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4701 9.8530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1210 10.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9571 9.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5411 9.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7107 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2254 10.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5282 10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7605 8.8453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0098 9.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2546 8.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8642 9.5382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6148 9.3237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2657 9.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1019 8.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6858 9.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4445 9.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3702 9.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6729 9.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9962 8.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2570 8.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6561 8.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9104 9.0905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1597 9.3051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4045 9.1073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0141 9.7834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7647 9.5689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4156 9.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2517 8.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8357 9.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0053 10.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5200 9.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8228 10.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0551 8.5612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3044 8.7759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5492 8.5780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1588 9.2541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9094 9.0396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5603 9.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3965 8.4373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9804 8.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7391 9.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 9.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9675 9.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2908 8.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5516 8.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9508 8.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 8.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4543 9.0211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6991 8.8232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3087 9.4993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0593 9.2848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7102 9.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5464 8.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1303 8.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 9.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 9.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1174 9.7598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 9.0578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8580 8.5767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5742 7.8494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7978 7.9309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4125 8.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0443 8.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1861 8.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 7.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 8.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6965 9.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0624 8.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1355 8.6825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1426 8.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4906 7.8186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8829 7.2428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0172 8.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7016 7.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 8.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 7.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1109 6.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6692 8.1904 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 115119 1 0 0 0 0 130131 1 1 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 134139 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 130139 1 0 0 0 0 114130 1 0 0 0 0 M END > LMISSP0505AO04 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C92H165N3O42 > 1984.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261087 > - > - > Active (generated by computational methods) > - $$$$