Accord 08271317192D 106110 0 0 0 0 0 0 0 0999 V2000 22.1612 8.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4312 9.3940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7009 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5833 8.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7392 8.2437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8916 9.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9743 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9743 6.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2444 8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8286 10.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0242 10.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5089 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7730 8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0372 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3013 8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5655 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8295 8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0937 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3579 8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6219 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8861 8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 7.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1597 6.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8963 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9058 5.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1720 5.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4341 5.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7003 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9623 5.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2287 5.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 5.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0189 5.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9647 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2289 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4930 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7571 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0212 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2854 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5495 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8137 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0778 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3420 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8701 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1344 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 8.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8971 11.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2289 11.3921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2898 11.6607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3450 11.4131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8566 12.2589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7957 11.9906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3590 12.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4050 11.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6335 11.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3316 11.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7406 12.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8684 12.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6634 11.6989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7243 11.9674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7795 11.7199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2911 12.5657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2302 12.2974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7935 12.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8395 11.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0680 11.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2801 13.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1751 12.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3029 12.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0914 11.0368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1524 11.3053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2075 11.0577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7191 11.9036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6582 11.6353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2215 11.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2675 10.8817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4960 11.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1941 11.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 11.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7309 12.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1353 10.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4616 10.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7099 10.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5195 10.3746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5804 10.6431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6355 10.3956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1471 11.2414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0862 10.9731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6495 11.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6955 10.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 10.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1361 11.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0312 11.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1589 11.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1017 10.6891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3324 10.0872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9774 9.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0060 9.2793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 9.8814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3144 9.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 9.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4049 8.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 10.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 10.2894 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 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 78 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 > LMISSP0504BU05 > > Galalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O28 > 1500.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260968 > - > - > Active (generated by computational methods) > - $$$$