Accord 08271317182D 108113 0 0 0 0 0 0 0 0999 V2000 21.9442 7.2927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1998 7.7214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4552 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3745 6.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5138 6.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6889 7.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7341 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7341 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9897 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6051 8.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7849 8.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2398 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4894 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7391 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9888 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2384 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4881 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7377 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9874 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7364 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2357 6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4853 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7045 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9542 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2038 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4535 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7031 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9528 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4521 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7018 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9514 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2011 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7005 7.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9501 7.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6938 10.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0130 9.7564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0562 10.0299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0936 9.7777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5960 10.6395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5528 10.3661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1078 10.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1736 9.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3687 9.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0611 10.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5155 10.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6268 10.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3803 10.0689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4235 10.3425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4609 10.0903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9633 10.9521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9200 10.6787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4751 10.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5408 9.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7360 10.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9521 11.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8828 10.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9941 11.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2713 11.2508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3145 11.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3518 11.2721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8542 12.1339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8110 11.8606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3661 12.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4318 11.0928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 11.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8430 12.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7738 12.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8850 12.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2971 10.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6295 10.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8637 10.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6319 10.5761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6751 10.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7125 10.5975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2149 11.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1717 11.1859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7267 11.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7925 10.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9876 10.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 12.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1344 11.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 11.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1497 10.8965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3659 10.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0042 9.3563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0145 9.4602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7981 10.0736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3287 9.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7841 10.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 8.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 11.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 10.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 10.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2778 9.5541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4468 9.3171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6722 8.5831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8434 9.5538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4412 9.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7337 10.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2930 8.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9629 8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6744 9.7909 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 3 26 2 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 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 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 60 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 70 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 84 88 1 0 0 0 0 99100 1 1 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 99108 1 0 0 0 0 83 99 1 0 0 0 0 M END > LMISSP0503AK01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C72H130N2O32 > 1534.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260564 > - > - > Active (generated by computational methods) > - $$$$