Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 23.4158 7.2876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6733 7.7153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9305 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8450 6.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9865 6.5452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1587 7.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2086 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2086 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4662 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0776 8.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2594 8.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7181 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9696 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2211 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4726 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7242 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9756 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2272 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4787 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7303 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9817 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2332 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4848 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7363 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9879 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2394 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4910 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7423 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1818 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4333 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6848 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9362 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1877 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4393 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6908 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9424 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1939 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4455 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6969 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9484 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 7.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4514 7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1640 10.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4846 9.7465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5297 10.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5690 9.7678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0724 10.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0273 10.3552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5833 10.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6468 9.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8456 9.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5386 10.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9881 10.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1012 10.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8592 10.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9043 10.3315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9436 10.0798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4470 10.9399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4018 10.6671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9578 10.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0213 9.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2201 10.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4358 11.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3626 10.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4757 11.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9131 12.2310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9583 12.5040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9976 12.2523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5010 13.1124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4558 12.8395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0118 13.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0754 12.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2741 12.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4898 13.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4166 13.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5297 13.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8103 13.4105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8554 13.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8947 13.4318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3981 14.2918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3530 14.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9090 14.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9725 13.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1713 13.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3870 14.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3138 14.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4269 14.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8381 13.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1699 12.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4056 13.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1783 12.7372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2234 13.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2627 12.7585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7661 13.6186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7209 13.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2769 13.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3404 12.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 12.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 14.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6818 13.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7948 13.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 12.4810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1940 13.0452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4745 11.7029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5512 10.8439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8988 11.4079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9403 10.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 13.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 11.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 10.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2704 12.1862 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 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 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 79 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 108107 1 1 0 0 0 107109 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 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 108116 1 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0502BM07 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O32 > 1644.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260474 > - > - > Active (generated by computational methods) > - $$$$