Accord 08271317182D 102106 0 0 0 0 0 0 0 0999 V2000 22.2856 7.2450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5586 7.6637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8314 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7059 6.5180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8654 6.5180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0129 7.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1038 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1038 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3768 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9544 8.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1534 8.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6444 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9115 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1788 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4460 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7131 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9803 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2476 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5147 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7819 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3163 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5835 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8506 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1178 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3851 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6522 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9194 6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1867 6.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0983 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3655 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6327 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8999 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1670 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4343 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7015 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9686 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2358 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5030 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0374 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3046 7.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5718 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0181 9.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3530 9.6520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4182 9.9193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4778 9.6729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9917 10.5148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9264 10.2477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4917 10.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5328 9.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7696 9.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4691 10.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8669 10.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9987 10.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8040 9.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8693 10.2246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9288 9.9782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4427 10.8201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3774 10.5530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9427 10.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9839 9.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2206 10.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4317 11.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3180 10.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4497 11.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2486 9.2983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3139 9.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3734 9.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8873 10.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8220 9.8940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3873 10.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4285 9.1440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6652 9.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3647 9.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7625 10.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8943 10.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2969 8.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6216 8.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8735 8.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6932 8.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7584 8.9065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8180 8.6601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3319 9.5020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2666 9.2349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8319 9.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8730 8.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1098 8.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3209 10.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2071 9.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3389 9.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1377 7.9801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2030 8.2474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2626 8.0010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7764 8.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7112 8.5759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2765 8.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 7.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7655 9.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6517 8.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 9.1673 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 88 92 1 0 0 0 0 M END > LMISSP0504AQ03 > > Galbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O28 > 1444.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260742 > - > - > Active (generated by computational methods) > - $$$$