Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 22.5033 7.2736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7659 7.6982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0282 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9295 6.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0770 6.5362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2410 7.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3045 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3045 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5671 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1674 8.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3549 8.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8242 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0809 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3376 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5943 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8510 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1077 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3645 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6211 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8779 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1345 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3912 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6479 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9046 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1613 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9314 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1882 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 6.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2847 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5413 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7980 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0548 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3114 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5682 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8248 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0816 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3382 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5950 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8517 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1083 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3651 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6217 7.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2463 9.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5716 9.7155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6234 9.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6693 9.7366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1761 10.5907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1244 10.3198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6834 10.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7396 9.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9509 9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6460 10.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0785 10.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1978 10.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9713 10.0252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0230 10.2964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0689 10.0464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5758 10.9005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5240 10.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0830 10.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1393 9.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3505 10.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5646 11.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4782 10.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5974 11.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0456 12.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0974 12.4538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1433 12.2039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6501 13.0580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5984 12.7870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1574 13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2136 12.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4249 12.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6390 13.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5525 13.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6718 13.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4387 11.5141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4905 11.7852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5364 11.5353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0432 12.3894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9915 12.1184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5505 12.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6067 11.3575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8180 11.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0321 12.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 12.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0649 12.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4732 11.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8027 10.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0437 11.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 10.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8836 11.1166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9295 10.8667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4363 11.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3846 11.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9436 11.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9998 10.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 11.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 12.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3387 11.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 12.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 10.6889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0525 9.9473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2240 10.1643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 9.9289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8287 10.6707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2785 10.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6764 10.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7908 9.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 9.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6573 10.4537 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 76 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 105106 1 1 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 105114 1 0 0 0 0 100105 1 0 0 0 0 M END > LMISSP0502AI04 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C78H142N2O32 > 1618.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260231 > - > - > Active (generated by computational methods) > - $$$$