Accord 08271317192D 82 85 0 0 0 0 0 0 0 0999 V2000 16.7367 7.6963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0221 8.1076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3073 7.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1498 6.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3235 6.9816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4516 8.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5749 6.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5749 5.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8603 6.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4111 8.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6237 8.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1404 6.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4200 6.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6996 6.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9793 6.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 6.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5865 8.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8662 7.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1459 8.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4255 7.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 8.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9850 7.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 8.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5442 7.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 5.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5442 6.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7549 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9657 6.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1763 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 6.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6943 5.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1295 5.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3471 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 5.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4879 10.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8030 10.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9369 10.7582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9862 10.6638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6440 11.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5101 11.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1268 11.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9833 10.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3281 10.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0903 11.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4609 11.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6714 11.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4055 11.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5394 11.6007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5888 11.5063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2464 12.3982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1125 11.9951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7293 12.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 11.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9306 11.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 12.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0633 12.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2738 12.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1518 12.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3165 11.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8341 10.7365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9113 10.9838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7465 11.4477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2701 11.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6891 11.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2100 10.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5233 11.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 12.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 11.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0884 11.0213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4240 10.2627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7811 9.7385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3764 8.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1591 9.7184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9602 9.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6495 10.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8726 9.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 10.2428 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 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 75 76 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 82 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 74 82 1 0 0 0 0 69 74 1 0 0 0 0 6 40 1 0 0 0 0 M END > LMISSP0506AA01 > > Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C58H107NO21 > 1153.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261852 > - > - > Active (generated by computational methods) > - $$$$