Accord 08271317192D 104108 0 0 0 0 0 0 0 0999 V2000 21.6463 7.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9223 8.1451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1981 7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0649 7.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2277 7.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3706 8.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4693 6.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4693 5.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7453 6.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3164 8.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5187 8.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0159 6.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2862 6.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5564 6.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8266 6.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0969 6.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4680 8.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7383 7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0085 8.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2787 7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5488 8.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8192 7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0893 8.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3595 7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0969 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3595 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5599 6.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7603 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9607 6.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1610 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 6.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3043 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5116 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7190 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9264 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3411 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5485 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7558 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9632 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1705 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3779 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3756 10.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7134 10.1248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7828 10.3909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8466 10.1456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3626 10.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2932 10.7179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8604 10.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8969 9.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1415 10.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8424 10.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2295 10.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3652 11.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1802 10.4288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2497 10.6949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3134 10.4496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8294 11.2878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7600 11.0219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3272 11.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3637 10.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6084 10.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 11.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6963 11.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8320 11.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 9.7727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7100 10.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7738 9.7935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2898 10.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2204 10.3658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7876 10.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 9.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 9.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7695 10.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1567 10.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2924 10.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6931 9.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0165 9.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2716 9.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1074 10.0767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1768 10.3427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2406 10.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7566 10.9356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6872 10.6697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2544 10.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2909 9.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5355 10.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7457 11.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6235 10.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7592 11.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 12.1939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3058 12.4600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3695 12.2147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8855 13.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8161 12.7870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3834 13.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4199 12.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 12.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8746 13.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7525 13.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8881 13.3758 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 91 94 1 0 0 0 0 M END > LMISSP0505BK04 > > Galalpha1-4Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261263 > - > - > Active (generated by computational methods) > - $$$$