Accord 08271317182D 104108 0 0 0 0 0 0 0 0999 V2000 21.7827 7.2713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0461 7.6954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3093 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2084 6.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3568 6.5348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5196 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5852 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5852 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8487 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4471 8.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6356 8.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1066 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3641 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6217 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8792 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1368 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3943 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6519 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9094 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1670 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4245 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6820 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9396 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1971 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4547 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7122 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2273 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4849 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7424 6.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5666 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8241 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0816 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3392 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5967 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8543 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1118 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3694 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6269 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8845 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1420 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3995 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6571 7.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9146 7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5248 9.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8509 9.7104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9037 9.9812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9507 9.7315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4581 10.5847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4053 10.3141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9648 10.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0198 9.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2331 9.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9286 10.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3584 10.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4786 10.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2546 10.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3074 10.2906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3544 10.0409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8618 10.8941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8090 10.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3685 10.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4236 9.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6368 10.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8507 11.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7621 10.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8823 11.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3323 12.1748 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3851 12.4457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4321 12.1960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9395 13.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8867 12.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4462 13.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5012 12.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7145 12.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9284 13.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8398 13.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9600 13.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2545 13.3448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3073 13.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3543 13.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8617 14.2191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8089 13.9485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3684 14.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4234 13.1885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6367 13.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8506 14.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 14.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8822 14.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2901 12.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6192 12.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 12.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6516 12.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7045 12.9478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7515 12.6981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2589 13.5513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2060 13.2806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7656 13.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 12.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 12.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 14.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 13.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2793 13.8800 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 3 32 2 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 77 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 87 94 1 0 0 0 0 M END > LMISSP0502BK04 > > Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260455 > - > - > Active (generated by computational methods) > - $$$$