Accord 08271317192D 109114 0 0 0 0 0 0 0 0999 V2000 19.5107 7.7650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7761 8.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0412 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9355 7.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0860 7.0302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2457 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3164 6.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3164 5.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5818 7.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1760 8.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3665 8.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8416 6.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1011 7.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3606 6.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 7.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 6.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3004 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5599 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8193 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0788 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3381 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8572 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 7.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3052 6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 7.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6824 6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8709 7.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0596 6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0753 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2710 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6623 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0537 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2494 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4451 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2508 10.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5789 10.1967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6346 10.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6845 10.2178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1934 11.0683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1377 10.7985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6986 11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7504 10.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9691 10.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6655 10.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0879 11.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2108 11.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9936 10.5052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0493 10.7752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0992 10.5263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6081 11.3768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5524 11.1070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1133 11.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1651 10.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3838 10.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5971 11.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5026 11.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 11.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4018 9.8394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4575 10.1094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5075 9.8605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0164 10.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9606 10.4412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5215 10.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5733 9.6835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7921 10.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4885 10.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9108 10.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0337 11.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4404 9.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7685 9.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0126 9.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8166 10.1478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8723 10.4178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9222 10.1689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4311 11.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3754 10.7496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9363 11.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9881 9.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 10.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 11.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3256 10.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 11.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 9.9919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0447 9.2534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2197 9.4695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 9.2351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8261 9.9738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2781 9.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 9.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7883 9.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 8.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 9.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 9.9488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9740 9.0960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1539 8.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3894 8.1377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5583 9.0957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1614 8.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 9.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 8.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6763 7.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3785 9.3298 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 90 99 1 0 0 0 0 85 90 1 0 0 0 0 100101 1 1 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 100109 1 0 0 0 0 72100 1 0 0 0 0 M END > LMISSP0505AG02 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C74H134N2O31 > 1546.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261021 > - > - > Active (generated by computational methods) > - $$$$