Accord 08271317192D 126132 0 0 0 0 0 0 0 0999 V2000 24.3205 7.5385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6459 7.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9712 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9305 6.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 6.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 5.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5493 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0132 8.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2699 8.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8697 6.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1897 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5097 6.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8297 6.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1498 6.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2909 7.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6109 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9309 7.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2509 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5709 7.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8911 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2110 7.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1498 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7859 6.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0409 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2958 6.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5507 6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8057 6.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4113 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6727 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1956 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4571 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7185 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2415 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5029 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0258 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2873 5.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 9.7714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5160 10.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6436 9.7908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1927 10.5718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0597 10.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6565 10.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6223 9.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9867 9.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7079 10.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9322 10.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1268 10.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0910 10.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2239 10.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3515 10.0740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9006 10.8550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7676 10.6073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3644 10.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3302 9.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6946 10.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8904 11.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6401 10.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8347 11.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7929 9.4433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9258 9.6912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0535 9.4627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6025 10.2436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4696 9.9959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0664 10.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0321 9.3002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3965 9.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1178 9.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3420 10.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5367 10.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9101 9.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2113 8.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5173 9.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5008 9.7265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6337 9.9745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7614 9.7459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3104 10.5269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1775 10.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7743 10.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7400 9.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1044 9.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3003 11.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0500 10.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2446 10.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 9.1152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3357 9.3631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4633 9.1345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0124 9.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8794 9.6678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4762 9.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 8.9720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 9.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5276 9.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7519 9.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9465 10.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3199 8.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6212 8.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9272 8.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9047 8.5038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0376 8.7517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1652 8.5232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7143 9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5813 9.0564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1781 9.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 8.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 8.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 9.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 9.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 9.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 10.1103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3707 9.7259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8197 10.2824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8987 10.5769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7443 10.8649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2426 11.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9396 9.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 10.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 10.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2954 10.3085 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 100117 1 0 0 0 0 M END > LMISSP0505CI03 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261454 > - > - > Active (generated by computational methods) > - $$$$