Accord 08271317192D 138145 0 0 0 0 0 0 0 0999 V2000 24.4232 7.1517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8507 7.4813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2779 7.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0922 6.5790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4924 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4924 5.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9198 6.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1624 8.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5315 8.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3430 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7658 6.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1887 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6115 6.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0344 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7005 7.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1234 7.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5462 7.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9690 7.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3918 7.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8148 7.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2376 7.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6604 7.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0344 5.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6604 6.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0280 6.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3956 6.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 6.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1308 6.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4984 6.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4076 5.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7807 5.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1538 5.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5269 5.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9001 5.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2732 5.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 5.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0195 5.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 5.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7657 5.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4763 9.0470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7404 9.2574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9999 9.0634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6172 9.7263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3531 9.5160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0109 9.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8306 8.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4423 9.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2057 9.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0937 9.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4101 9.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6820 9.2874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9461 9.4978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2056 9.3038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8229 9.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5588 9.7564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2166 9.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0363 9.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6480 9.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8142 10.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2994 9.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6158 10.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8827 8.7684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1467 8.9789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4063 8.7849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0235 9.4478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7594 9.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4172 9.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2370 8.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8487 8.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6121 9.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 9.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8164 9.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1333 8.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3891 8.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8000 8.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0884 9.0088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3524 9.2193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6120 9.0253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2292 9.6882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9652 9.4779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6229 9.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4427 8.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0544 9.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2206 10.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7057 9.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0221 9.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2890 8.4899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5531 8.7004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8126 8.5064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4298 9.1692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1658 8.9590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8236 9.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6433 8.3684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 8.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0184 8.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9063 9.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2228 9.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5397 8.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7954 8.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2063 8.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4947 8.7303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7588 8.9408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0183 8.7468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6355 9.4097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3715 9.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0293 9.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 8.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 8.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6269 9.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1121 9.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4285 9.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6954 8.2114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9594 8.4219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2189 8.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8362 8.8907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5721 8.6805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2299 8.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 8.0899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6614 8.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4247 8.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 8.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6291 9.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2017 7.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6127 7.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6105 8.5752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6174 7.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9782 7.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3825 7.1637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5141 7.9104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2047 7.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9681 8.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 7.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 6.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1533 8.0927 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 97129 1 0 0 0 0 M END > LMISSP0505BH02 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C90H160N4O42 > 1969.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261237 > - > - > Active (generated by computational methods) > - $$$$