Accord 08271317182D 107112 0 0 0 0 0 0 0 0999 V2000 19.6171 7.2800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8773 7.7061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1373 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0447 6.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1894 6.5403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3571 7.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4144 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4144 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6747 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 8.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4649 8.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9294 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1837 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4380 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6924 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9467 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2010 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7096 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9639 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2182 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4725 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7268 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9812 6.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2355 6.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3913 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6456 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8999 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1542 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4085 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6628 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9171 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1714 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4257 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6801 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9344 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 7.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6974 7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3620 9.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6855 9.7284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7346 10.0003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7779 9.7496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2834 10.6061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2343 10.3344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7921 10.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8512 9.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0575 9.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7518 10.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1910 10.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3079 10.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0753 10.0390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1244 10.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1677 10.0602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6732 10.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6241 10.6450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1819 10.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2410 9.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4474 10.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6621 11.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5808 10.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6977 11.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4585 9.3686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5077 9.6404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5510 9.3898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0565 10.2462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0073 9.9746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5651 10.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6242 9.2116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8306 9.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 9.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9641 10.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0809 10.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4904 9.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8208 8.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0597 9.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8418 8.6981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8909 8.9700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9342 8.7194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4397 9.5758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3906 9.3041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9484 9.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 8.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2138 8.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 10.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3473 9.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 9.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 8.5412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0576 7.7975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2269 8.0151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 7.7790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8305 8.5228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 8.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 7.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 7.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 7.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 8.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0044 10.4598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2562 10.0383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6519 10.6485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6420 10.9715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5693 11.2873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 11.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8801 9.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0569 10.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 10.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1736 10.6772 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 3 26 2 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 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 88 97 1 0 0 0 0 83 88 1 0 0 0 0 98 99 1 1 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 98107 1 0 0 0 0 71 98 1 0 0 0 0 M END > LMISSP0504AI01 > > Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C72H130N2O31 > 1518.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260676 > - > - > Active (generated by computational methods) > - $$$$