Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 20.5158 9.0657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7678 9.4963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0195 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9483 8.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0834 8.3176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2642 9.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2997 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2997 7.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5518 8.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1751 10.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3508 10.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0441 8.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2901 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5361 8.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7821 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0280 8.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2740 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5200 8.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7659 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0119 8.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2579 7.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2676 7.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0225 6.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 5.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5242 5.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7723 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0161 5.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2643 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 5.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2652 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5112 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7571 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0032 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2491 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4952 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7411 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9871 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2331 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4791 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9709 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2170 9.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4629 9.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2699 11.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5853 11.5437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6230 11.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6549 11.5652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1544 12.4319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1167 12.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6692 12.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7410 11.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9258 11.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6165 12.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0849 12.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1911 12.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9318 11.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9696 12.1332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0014 11.8795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5010 12.7462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4632 12.4713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0157 12.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 11.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2724 12.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4897 13.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4314 12.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5377 13.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 13.0467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8428 13.3218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8746 13.0681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3742 13.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3364 13.6599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8890 13.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9607 12.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1456 13.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3629 14.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3047 13.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4109 14.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8253 12.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 12.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3894 12.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2717 11.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3034 10.9266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5992 10.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7272 10.7067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6955 10.9599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1788 10.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6259 10.6131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 10.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4223 10.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3998 11.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4496 11.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6168 10.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0265 10.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2416 10.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 9.9022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0494 10.6288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0870 10.9033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0974 11.9041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7857 11.1776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5320 11.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9301 10.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5589 11.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3746 12.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 10.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1597 11.6637 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 68 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 91 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 67 85 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 93 99 1 0 0 0 0 M END > LMISSP0503AO05 > > GalNAcbeta1-4(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260600 > - > - > Active (generated by computational methods) > - $$$$