Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 24.2881 7.1749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5820 7.5814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8756 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6963 6.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8799 6.4688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9945 7.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1401 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1401 5.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4340 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9664 8.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1884 8.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7227 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0109 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2992 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5874 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8757 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1639 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4521 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7403 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0285 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6050 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8933 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1815 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7580 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0463 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3345 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6227 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9110 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 6.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1636 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4518 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7400 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0283 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3165 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6048 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8930 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1813 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4695 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7578 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0460 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3341 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6224 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9106 7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3536 9.5143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4452 9.7740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5313 9.5345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0588 10.3528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9672 10.0932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5448 10.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5566 9.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8430 9.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5510 10.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8813 10.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0375 10.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9046 9.8110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9962 10.0707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0822 9.8313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6098 10.6495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5182 10.3899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0957 10.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1076 9.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3940 10.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5991 11.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4322 10.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5885 10.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1019 11.8778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1935 12.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2795 11.8981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8071 12.7163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7155 12.4568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2931 12.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3049 11.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5913 12.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7964 13.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6296 12.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7858 13.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6466 11.2373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7382 11.4970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8242 11.2576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3518 12.0758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2602 11.8162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8377 12.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8496 11.0873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 11.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3411 12.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1742 12.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3305 12.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7217 10.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0373 10.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3102 10.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1913 10.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2829 10.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3689 10.6171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8965 11.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8049 11.1757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3824 11.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 10.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6807 10.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8858 11.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 11.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8752 11.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8851 10.9010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1410 10.3187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7975 9.4386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8579 9.5372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6018 10.1197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1562 9.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 10.1680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2437 8.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 9.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9455 10.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1781 10.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6241 9.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9925 10.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3823 9.6145 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 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0502BE05 > > GalNAcalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C82H149N3O33 > 1704.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260408 > - > - > Active (generated by computational methods) > - $$$$