Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 21.6424 8.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9111 9.4087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1796 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0652 8.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2196 8.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3740 9.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4535 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4535 6.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7223 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3092 10.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5035 10.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9856 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2484 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5113 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7742 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0371 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2999 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5628 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8257 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0885 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3514 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6143 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6238 6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3617 6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3712 5.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 5.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 5.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1619 5.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4227 5.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6878 5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9484 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 5.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4422 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7051 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9679 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2308 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4936 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7566 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0194 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2823 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5452 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8081 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0709 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3337 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 9.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 8.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3796 11.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7102 11.4103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7695 11.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8231 11.4313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3339 12.2786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2745 12.0098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8371 12.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8849 11.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1104 11.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8080 11.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2211 12.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3473 12.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1386 11.7175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1979 11.9865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2515 11.7386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7623 12.5858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7029 12.3171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2655 12.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3133 11.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5388 11.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7512 13.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6495 12.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7757 12.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5605 11.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6199 11.3233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6734 11.0753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1842 11.9226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1249 11.6538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6874 11.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7352 10.8990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9607 11.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6583 11.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0714 11.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1977 12.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6028 10.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9296 10.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1767 10.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9825 10.3910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0418 10.6600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0953 10.4120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6061 11.2593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5468 10.9905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1093 11.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 10.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3826 10.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5951 11.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4933 11.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6196 11.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1434 12.1339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4031 11.7168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8053 12.3206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8062 12.6401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7236 12.9525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1793 13.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0204 11.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2166 12.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5204 12.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 12.3489 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 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 81 98 1 0 0 0 0 M END > LMISSP0504AC06 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C76H140N2O27 > 1512.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260633 > - > - > Active (generated by computational methods) > - $$$$