Accord 08271317182D 87 90 0 0 0 0 0 0 0 0999 V2000 18.3706 7.2706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6343 7.6946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8977 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7962 6.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9449 6.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1072 7.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1736 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1736 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4372 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0351 8.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2238 8.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6955 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9532 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2110 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4688 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7266 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9844 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2422 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7578 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2734 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5311 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7889 6.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0467 6.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1551 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4129 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6707 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9285 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1863 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4441 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9597 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2175 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4752 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2487 7.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 7.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1121 9.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4386 9.7075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4922 9.9781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5400 9.7286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0478 10.5811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9942 10.3107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5541 10.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6083 9.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8230 9.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5187 10.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9465 10.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0675 10.9095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8453 10.0166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8989 10.2873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9467 10.0378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4544 10.8902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4009 10.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9608 10.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0149 9.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2296 10.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4434 11.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3532 10.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4741 11.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7699 11.1857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8235 11.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8713 11.2068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3791 12.0593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3255 11.7889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8854 12.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9396 11.0295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1543 11.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3680 12.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2778 12.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3988 12.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8063 10.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1352 10.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3776 10.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1701 10.5184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2236 10.7890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2714 10.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7792 11.3920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7256 11.1216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2855 11.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3397 10.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 11.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6779 11.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 11.7204 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 M END > LMISSP0503AB01 > > Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260492 > - > - > Active (generated by computational methods) > - $$$$