Accord 08271317192D 99103 0 0 0 0 0 0 0 0999 V2000 18.7440 7.7433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0157 8.1626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2871 7.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1651 7.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3229 7.0149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4726 8.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5599 6.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5599 5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8316 7.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4122 8.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6096 8.8655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0978 6.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3637 7.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6295 6.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8953 7.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1613 6.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5527 8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 7.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0843 8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3501 7.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6159 8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8819 7.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1476 8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4134 7.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1613 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4134 7.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8046 7.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1956 7.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3638 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5664 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9716 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3768 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 5.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4777 10.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8115 10.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8754 10.4219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9335 10.1751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4466 11.0183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3827 10.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9474 11.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9902 9.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2242 10.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9232 10.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3248 10.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4552 11.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2571 10.4600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3209 10.7277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3790 10.4809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8921 11.3241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8283 11.0566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3930 11.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4357 10.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6698 10.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8812 11.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 11.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9008 11.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 9.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7600 10.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8181 9.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3312 10.6640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2674 10.3966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8321 10.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 9.6454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1088 10.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8079 10.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2094 10.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3398 10.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 9.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0683 9.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3189 9.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 10.1057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2056 10.3734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2637 10.1266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7768 10.9698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7129 10.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2776 10.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3204 9.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 11.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 10.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 11.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2890 9.9084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2978 9.0630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4847 8.8311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7269 8.1129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8943 9.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5008 8.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7439 9.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3343 8.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0113 7.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7074 9.2947 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 72 90 1 0 0 0 0 M END > LMISSP0505AB02 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O27 > 1400.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44260981 > - > - > Active (generated by computational methods) > - $$$$