Accord 08271317192D 126132 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 23.2780 7.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0922 6.5791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4823 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 5.5784 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 20.0345 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7006 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 20.9691 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 20.0345 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6604 6.5850 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 17.3957 6.5850 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 6.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4985 6.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4076 5.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7807 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1539 5.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5270 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9001 5.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2733 5.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6464 5.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0195 5.5516 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 9.2129 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 21.6821 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 20.2057 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 19.6481 9.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8143 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 8.7685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1468 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 17.7595 9.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4173 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 8.9344 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 17.8165 9.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1334 8.4855 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 8.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0884 9.0089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3525 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 14.2293 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 14.6230 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 9.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2206 10.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7058 9.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0222 9.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2891 8.4900 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 11.8127 8.5064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4299 9.1693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1659 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 12.6434 8.3685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2551 8.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0185 8.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9064 9.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2228 9.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5398 8.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7955 8.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2064 8.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4948 8.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7589 8.9408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0184 8.7468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6356 9.4097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3716 9.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0294 9.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8491 8.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4608 8.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 9.8409 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 9.4286 9.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6955 8.2115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9595 8.4219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2191 8.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8363 8.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5722 8.6805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2300 8.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 8.0900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 8.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 8.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3128 8.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 9.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9461 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2019 7.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 7.9284 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 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 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 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 M END > LMSP0505BF01 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C82H146N4O38 > 1794.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261220 > - > - > Active (generated by computational methods) > - $$$$