Accord 08271317192D 136143 0 0 0 0 0 0 0 0999 V2000 24.3204 7.5380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6458 7.9263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9710 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9304 6.8632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2237 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2237 5.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5490 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 8.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2697 8.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8694 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1893 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5093 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8293 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1493 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2907 7.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6106 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9306 7.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2505 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5704 7.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8905 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2104 7.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5304 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1493 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5304 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7852 6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0401 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2950 6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5498 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8047 6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4107 5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6721 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9335 5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1949 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4563 5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7176 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9790 5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2404 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5018 5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0246 5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2860 5.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 9.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5159 10.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6434 9.7904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1924 10.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0595 10.3237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6563 10.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6222 9.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9864 9.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7076 10.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9321 10.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1267 10.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0906 10.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2235 10.3023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3510 10.0737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9000 10.8547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7672 10.6070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3639 10.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3298 9.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6940 10.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8899 11.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6397 10.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8343 11.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7923 9.4429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9251 9.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0527 9.4623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6017 10.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4688 9.9956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0656 10.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0314 9.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3957 9.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1169 9.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3414 10.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5359 10.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9094 9.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2107 8.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5166 9.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4999 9.7262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6327 9.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7603 9.7455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3093 10.5266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1764 10.2788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7732 10.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7391 9.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1033 9.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2991 11.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0490 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2436 10.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2015 9.1148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3344 9.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4619 9.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0109 9.9152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8781 9.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4748 9.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4407 8.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 9.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5262 9.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7506 9.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9452 10.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3186 8.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6199 8.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 8.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9032 8.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0360 8.7513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1636 8.5227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7126 9.3038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5797 9.0560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1765 9.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 8.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 8.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7024 9.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4523 9.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6468 9.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0515 10.1100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3691 9.7255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8181 10.2821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8970 10.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7427 10.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2409 11.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9381 9.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2754 10.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6336 10.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 10.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6363 9.5434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6445 8.7603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8913 8.5455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1894 7.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3445 8.7600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9799 8.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 9.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7520 8.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4528 7.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0976 8.9749 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 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 75 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 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 100117 1 0 0 0 0 127128 1 1 0 0 0 128129 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 127136 1 0 0 0 0 74127 1 0 0 0 0 M END > LMISSP0505CJ03 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C90H161N3O41 > 1940.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261462 > - > - > Active (generated by computational methods) > - $$$$