Accord 08271317182D 124130 0 0 0 0 0 0 0 0999 V2000 22.5025 7.5643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7571 7.9935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0116 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9333 6.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0716 6.8191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2481 7.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2908 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2908 5.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5456 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1629 8.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3418 8.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7948 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0435 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2923 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5411 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7899 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0387 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2874 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5362 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7850 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0338 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2825 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5313 6.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7801 6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2602 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5089 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7576 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0064 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2552 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5041 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7527 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0016 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2503 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4992 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7478 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2455 7.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 7.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2534 10.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5715 10.0322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6131 10.3062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6489 10.0536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1505 10.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1088 10.6429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6632 10.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7306 9.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9228 10.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6146 10.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0732 10.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1830 11.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9327 10.3452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9744 10.6192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0101 10.3666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5117 11.2299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4701 10.9561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0244 11.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0919 10.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2841 10.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5005 11.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4344 11.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5442 11.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2873 9.6695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3290 9.9435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3648 9.6909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8663 10.5541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8247 10.2803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3790 10.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4465 9.5113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6387 9.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3306 10.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7890 10.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8988 10.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3116 9.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6446 9.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8774 9.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 8.9938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6836 9.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7194 9.0151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2210 9.8784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1793 9.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7336 9.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8012 8.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9933 9.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 10.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1436 9.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2536 10.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 9.3147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3690 8.7005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0067 7.7719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0153 7.8759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8002 8.4904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 8.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7878 8.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 7.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1627 9.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 8.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2766 8.8356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2856 7.9701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4532 7.7327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6775 6.9975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8488 7.9698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4460 7.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7423 8.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 7.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9686 6.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6812 8.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8060 10.7694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0518 10.3445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4427 10.9596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4248 11.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3595 11.6035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8049 11.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6806 10.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 10.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1337 10.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9686 10.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7801 5.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1471 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 5.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8751 5.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1896 5.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 5.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 5.6673 0.0000 C 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 3 25 2 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 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 6 39 1 0 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 40 49 1 0 0 0 0 41 46 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 45 50 1 0 0 0 0 39 40 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 48 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 68 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 2 0 0 0 0 58 62 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 69 76 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 83 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 82 98 1 0 0 0 0 108109 1 1 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 108117 1 0 0 0 0 70108 1 0 0 0 0 24118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 M END > LMISSP0504AG04 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C84H152N2O36 > 1765.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260663 > - > - > Active (generated by computational methods) > - $$$$