Accord 08271317182D 106111 0 0 0 0 0 0 0 0999 V2000 22.9695 7.2568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2382 7.6779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5066 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3922 6.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5467 6.5255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7011 7.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7806 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7806 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0494 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6363 8.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8306 8.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3126 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5755 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8383 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1012 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3640 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6269 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8897 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1526 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4154 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6783 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9411 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2040 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4668 6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 6.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7692 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0320 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2949 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5577 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8206 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0834 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6091 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8720 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6605 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9235 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1863 7.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7059 9.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0371 9.6771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0972 9.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1514 9.6981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6626 10.5447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6025 10.2761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1654 10.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2124 9.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4393 9.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1371 10.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 10.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6753 10.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4683 9.9841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5283 10.2529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5826 10.0051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0937 10.8518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0337 10.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5966 10.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6435 9.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8704 10.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0827 11.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9795 10.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1064 11.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5682 12.1227 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6283 12.3915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6825 12.1437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1937 12.9904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1336 12.7218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6965 12.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7435 11.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 12.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 13.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0795 12.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2064 13.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 12.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3773 11.8350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0219 10.9243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0496 11.0264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8194 11.6290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3583 11.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7880 11.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4488 10.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5976 11.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1750 12.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3809 12.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6257 10.5632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8557 9.9608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5003 9.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5280 9.1521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2978 9.7548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8367 9.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2664 9.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9272 8.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 9.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6534 10.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8593 10.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 8.6890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3341 8.0865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9787 7.1758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0064 7.2779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7762 7.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3151 7.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7449 7.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4057 6.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1318 8.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3378 8.2889 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 3 26 2 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 38 39 1 0 0 0 0 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 70 74 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 81 85 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 92 96 1 0 0 0 0 M END > LMISSP0502AN01 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C70H127NO33 > 1509.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260268 > - > - > Active (generated by computational methods) > - $$$$