Accord 08271317192D 87 90 0 0 0 0 0 0 0 0999 V2000 16.9594 7.7428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2313 8.1619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5029 7.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3804 7.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5384 7.0145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6879 8.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7756 6.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7756 5.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0474 7.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6277 8.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8253 8.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3138 6.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5798 7.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8458 6.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1118 7.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 6.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 8.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0345 7.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3005 8.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5665 7.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8324 8.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0986 7.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3645 8.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6304 7.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6304 7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 6.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0219 7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 6.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4133 7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 6.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5806 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5945 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7972 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6929 10.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0270 10.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0910 10.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1493 10.1740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6625 11.0171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5985 10.7497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1632 11.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2057 9.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4402 10.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1392 10.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5403 10.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6709 11.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4733 10.4589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5373 10.7265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5956 10.4798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1088 11.3228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0448 11.0554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6095 11.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6521 10.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8865 10.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0979 11.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9866 11.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1172 11.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0668 10.7723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3001 10.1724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9462 9.2655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9781 9.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7446 9.9673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2855 9.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7091 10.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3756 8.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 9.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 10.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 10.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4512 12.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7819 12.9691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8457 13.2361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8558 14.2096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5253 13.5029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2786 13.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 12.5474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 13.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2516 14.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4615 13.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8891 13.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4478 12.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 12.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0828 12.6535 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 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 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 62 74 1 0 0 0 0 M END > LMISSP0506AP01 > > Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261932 > - > - > Active (generated by computational methods) > - $$$$