Accord 08271317182D 122128 0 0 0 0 0 0 0 0999 V2000 24.3406 7.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6858 7.3945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0307 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7191 6.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 5.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6213 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 8.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3208 8.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9616 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3015 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6415 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9814 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3214 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6613 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0013 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3412 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6812 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0211 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3611 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7010 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 5.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3809 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3704 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7103 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0503 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3902 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7302 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0701 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4101 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7500 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0900 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4299 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7699 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1098 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4499 7.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7898 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5595 9.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7127 9.2034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2749 9.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1166 9.7210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7252 9.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6627 9.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 9.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8044 9.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 9.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1817 10.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2055 9.4595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3639 9.7002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5171 9.4783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0793 10.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9210 9.9959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5296 10.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4671 9.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8794 9.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0695 10.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7679 10.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9861 10.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0041 8.8661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1625 9.1067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3157 8.8849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8779 9.6429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7196 9.4025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3282 9.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2657 8.7271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6780 9.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4074 9.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5665 9.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7847 9.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1472 8.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4396 8.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7659 8.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8027 8.2726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9611 8.5133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1143 8.2914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6765 9.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5182 8.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1268 9.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 8.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4766 8.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6667 9.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3651 9.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5833 9.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 7.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7597 7.9198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9129 7.6980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4751 8.4561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3168 8.2156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9254 8.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8629 7.5402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2752 7.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0046 8.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1637 8.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 8.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7444 7.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0368 7.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3631 7.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 7.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5583 7.3264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7115 7.1045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2737 7.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1154 7.6221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7240 7.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6615 6.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0738 7.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2639 8.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 7.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 8.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2008 6.9468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8207 6.2885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0853 6.4812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1702 6.2722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7345 6.9306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2461 6.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 6.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7008 6.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 5.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 6.7380 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 95102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 M END > LMISSP0504AN01 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260716 > - > - > Active (generated by computational methods) > - $$$$