Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 22.3700 9.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6308 9.4462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8913 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7974 8.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9427 8.2814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1095 9.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1682 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1682 6.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4291 8.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0332 10.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2187 10.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6844 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9392 8.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1941 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4490 8.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7039 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9587 8.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2136 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4685 8.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7233 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9783 8.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2332 7.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 6.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9887 6.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9982 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2552 5.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5081 5.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0178 5.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2749 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5275 5.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7847 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 5.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1459 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4008 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6557 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9106 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1654 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4204 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6752 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9301 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1850 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4399 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6947 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2045 9.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4593 9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1152 11.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4386 11.4694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4877 11.7413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5310 11.4906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0364 12.3471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9873 12.0754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5451 12.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6043 11.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8106 11.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5048 12.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9441 12.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0609 12.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8282 11.7800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8774 12.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9206 11.8012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4261 12.6577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3770 12.3860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9348 12.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9939 11.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2002 11.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4150 13.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3338 12.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4506 12.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2113 11.1096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2605 11.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3038 11.1308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8092 11.9873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7601 11.7156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3179 11.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3770 10.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5833 11.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2776 11.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7169 11.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8337 12.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2432 10.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5736 10.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8125 10.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5945 10.4391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6436 10.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6869 10.4603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1923 11.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1432 11.0451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7010 11.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7602 10.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9664 10.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1812 11.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 11.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2168 11.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 10.7575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3548 10.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9952 9.2267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0117 9.3300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7904 9.9397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3240 9.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 9.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4156 8.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1501 10.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3469 10.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2397 10.2821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2486 9.4234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4228 9.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6530 8.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8231 9.4231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4234 9.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 9.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 8.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9419 7.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 9.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 12.2009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0088 11.7793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4046 12.3896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3946 12.7126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3219 13.0284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7717 13.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6328 11.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8095 12.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1057 12.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9263 12.4182 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 92 96 1 0 0 0 0 107108 1 1 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 107116 1 0 0 0 0 91107 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 79117 1 0 0 0 0 M END > LMISSP0504AG05 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C86H156N2O36 > 1793.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260664 > - > - > Active (generated by computational methods) > - $$$$