Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.3204 8.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6463 9.0617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9719 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7102 7.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9307 7.9994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 6.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5503 7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 9.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2704 9.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8711 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1915 7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5120 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8324 7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1529 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4733 7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7938 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1142 7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4346 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7551 7.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0756 7.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0843 6.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7646 6.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 5.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0957 5.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4143 5.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7366 5.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0551 5.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3776 5.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6960 5.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0185 5.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3369 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6594 5.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9779 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2921 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6125 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9329 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2534 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5738 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8943 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2147 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5352 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8556 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1761 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4965 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8169 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1374 9.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4578 8.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 10.9069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5157 11.1549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6432 10.9263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1922 11.7074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0594 11.4596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6561 11.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6221 10.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9862 11.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7074 11.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 11.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1265 12.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0903 11.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2231 11.4381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3506 11.2095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8995 11.9906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7668 11.7429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3635 11.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3294 11.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6935 11.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8894 12.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6394 11.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8339 12.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7917 10.5787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9245 10.8267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0519 10.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6009 11.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4681 11.1314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0649 11.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0308 10.4356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3949 10.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 11.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3408 11.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5353 11.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9087 10.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2100 10.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5159 10.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4931 9.9672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6259 10.2152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7533 9.9866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3023 10.7677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1695 10.5199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7662 10.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7322 9.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 10.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2921 11.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0421 10.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 11.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1944 9.3558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3272 9.6038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4547 9.3752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0037 10.1563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8709 9.9085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4676 10.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 9.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 9.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5189 9.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 10.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9380 10.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 9.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 8.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 9.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 9.6391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0346 9.8870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1621 9.6584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7110 10.4395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5783 10.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1750 10.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 9.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 9.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7009 10.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 10.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 10.7405 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 16 17 1 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 31 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 3 36 2 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 80 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 M END > LMISSP0504BR08 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C84H151N3O33 > 1730.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260955 > - > - > Active (generated by computational methods) > - $$$$