Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 21.9148 7.2872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1724 7.7147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4298 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3439 6.5449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4856 6.5449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6575 7.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7079 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7079 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9656 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5766 8.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7587 8.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2177 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4693 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7211 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9727 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2245 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4761 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7279 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9795 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4830 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7346 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9864 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2380 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4898 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9932 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2448 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6812 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9329 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1845 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4363 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6880 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9397 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1914 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4431 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6948 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9465 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1982 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4498 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7016 7.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9532 7.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6628 10.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9835 9.7455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0289 10.0185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0684 9.7668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5719 10.6267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5266 10.3539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0826 10.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1460 9.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3452 9.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0382 10.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4872 10.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6004 10.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3590 10.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4043 10.3303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4438 10.0787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9473 10.9385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9020 10.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4580 10.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5214 9.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7206 10.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9362 11.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8626 10.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9759 11.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2569 11.2366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3022 11.5095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3418 11.2579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8453 12.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7999 11.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3560 12.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4193 11.0790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6185 11.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8341 12.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7605 12.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8738 12.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2849 10.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6166 10.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8525 10.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6257 10.5635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6711 10.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7106 10.5848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2141 11.4446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1687 11.1719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7248 11.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7881 10.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9873 10.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 12.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1293 11.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2426 11.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1513 10.8831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3693 10.2713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0083 9.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0209 9.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8027 10.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3344 9.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7865 10.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 8.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5618 9.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1638 10.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 10.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2656 10.4059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2746 9.5437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4455 9.3072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6727 8.5749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8434 9.5434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4421 9.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 10.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 8.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9627 8.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6725 9.7800 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 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 66 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 90 94 1 0 0 0 0 105106 1 1 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 105114 1 0 0 0 0 89105 1 0 0 0 0 M END > LMISSP0503AK04 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C78H142N2O32 > 1618.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260567 > - > - > Active (generated by computational methods) > - $$$$