Accord 08271317192D 122128 0 0 0 0 0 0 0 0999 V2000 24.3204 7.5379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6458 7.9262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9710 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9304 6.8631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2236 6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2236 5.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5490 6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 8.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2697 8.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8693 6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1893 6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5092 6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8292 6.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1492 6.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2906 7.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6106 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9305 7.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2505 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5703 7.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8905 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2103 7.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5303 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1492 5.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5303 6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7851 6.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0400 6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2948 6.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5497 6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8046 6.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4106 5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6720 5.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9334 5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1947 5.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4561 5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7175 5.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9789 5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2403 5.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 9.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5158 10.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6434 9.7904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1924 10.5714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0595 10.3237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6563 10.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6221 9.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9864 9.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7076 10.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9321 10.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1266 10.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0906 10.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2234 10.3022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3509 10.0736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9000 10.8547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7671 10.6069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3639 10.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3297 9.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6940 10.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8898 11.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6397 10.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8342 11.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7922 9.4429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9250 9.6908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0525 9.4622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6016 10.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4687 9.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0655 10.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0313 9.2997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3956 9.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1168 9.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3413 10.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5358 10.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9093 9.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2106 8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5164 9.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4997 9.7261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6326 9.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7601 9.7455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3091 10.5265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1763 10.2788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7730 10.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7389 9.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1031 9.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2990 11.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0488 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2434 10.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 9.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3342 9.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4617 9.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0107 9.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8779 9.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4746 9.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4405 8.9715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8047 9.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5259 9.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7504 9.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9450 10.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3184 8.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6197 8.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 8.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9029 8.5033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0358 8.7512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1633 8.5226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7123 9.3037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5795 9.0559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1762 9.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 8.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5063 8.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7022 9.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 9.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6466 9.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0513 10.1099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3689 9.7255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8178 10.2820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8968 10.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7425 10.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2407 11.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 9.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 10.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 10.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2936 10.3081 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 95102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 96113 1 0 0 0 0 M END > LMISSP0505CI01 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261452 > - > - > Active (generated by computational methods) > - $$$$