Accord 08271317192D 128134 0 0 0 0 0 0 0 0999 V2000 24.3200 7.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6449 7.9251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9697 7.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9297 6.8614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2225 6.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2225 5.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5475 6.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0124 8.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2686 8.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8674 6.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1869 6.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5064 6.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8259 6.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1456 6.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2889 7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6084 7.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9280 7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2475 7.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5669 7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8866 7.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2061 7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5256 7.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1456 5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5256 6.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7800 6.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0344 6.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2888 6.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5431 6.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 6.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4065 5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6674 5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9283 5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1892 5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4502 5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7111 5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9720 5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2329 5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4938 5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7547 5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3826 9.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5149 10.0192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6419 9.7905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1906 10.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0583 10.3241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6548 10.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6213 9.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9845 9.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7055 10.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9314 10.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1255 10.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0881 10.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2204 10.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3474 10.0739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8961 10.8554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7638 10.6075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3603 10.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3268 9.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6900 10.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8860 11.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6369 10.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 11.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7877 9.4427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9200 9.6908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0470 9.4621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5957 10.2436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4634 9.9957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0599 10.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0263 9.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3896 9.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1106 9.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3365 10.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5305 10.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9042 9.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2057 8.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5111 9.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4932 9.7262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6255 9.9743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7525 9.7455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3012 10.5271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1689 10.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7654 10.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7319 9.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 9.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 11.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0420 10.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 10.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1927 9.1144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3250 9.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4520 9.1337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0007 9.9153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8684 9.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4649 9.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4314 8.9711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7946 9.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5156 9.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 9.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9356 10.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3093 8.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 8.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9162 8.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 9.3978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0305 9.6459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1575 9.4172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7063 10.1987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5740 9.9508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1705 10.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1369 9.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5001 9.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6961 10.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4471 10.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6411 10.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6186 11.3981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9981 12.0533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1302 12.3008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1396 13.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7603 12.5482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5315 12.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8905 11.6623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6541 12.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5795 13.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6281 12.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0975 12.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6884 11.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8379 11.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 11.7607 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 89115 1 0 0 0 0 M END > LMISSP0505AN02 > > Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C84H150N4O38 > 1822.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261077 > - > - > Active (generated by computational methods) > - $$$$