Accord 08271317192D 80 82 0 0 0 0 0 0 0 0999 V2000 19.9295 7.7067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2118 8.1198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4940 7.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3444 6.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5146 6.9890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6474 8.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7628 6.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7628 5.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0451 6.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6025 8.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8118 8.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3221 6.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5987 6.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8753 6.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1519 6.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4286 6.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7703 8.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0468 7.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3234 8.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6000 7.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8765 8.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1533 7.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4298 8.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7064 7.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4286 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7064 6.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9137 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1211 6.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3284 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5358 6.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7432 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6429 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8571 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0714 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2857 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7143 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1429 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3571 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6524 10.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9960 10.0823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0736 10.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1455 10.1029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6657 10.9337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5882 10.6702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1592 10.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1867 9.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4466 10.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1500 10.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5164 10.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6596 11.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4937 10.3836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5712 10.6473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6432 10.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1634 11.2350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0858 10.9715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6569 11.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5834 11.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9443 10.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6477 10.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0140 11.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9842 11.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9913 10.6849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0689 10.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1408 10.7055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6611 11.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5835 11.2728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1545 11.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 10.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4419 10.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1454 11.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5117 11.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6549 11.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0521 10.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3726 10.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6343 10.3302 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 M END > LMISSP0508AA03 > > GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/20:0) > C58H108N2O18 > 1120.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GlcNAcbeta1-4Manbeta1-4Glc- (Arthro series) [SP0508] > - > > - > - > - > - > - > - > - > - > - > 44261950 > - > - > Active (generated by computational methods) > - $$$$