Accord 08271317182D 128134 0 0 0 0 0 0 0 0999 V2000 24.3207 7.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6465 7.4662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9722 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9309 6.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2247 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2247 5.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5506 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0136 8.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2708 8.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8714 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1918 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5123 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8327 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1532 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4737 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7942 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1146 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4351 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7555 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3964 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7168 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0373 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3578 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6783 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9987 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3192 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6396 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9601 6.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2924 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6128 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9332 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2537 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5741 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8946 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2151 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5356 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8560 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1765 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4969 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8173 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1378 7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4582 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.3104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5162 9.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6440 9.3298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1931 10.1106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0600 9.8629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6569 10.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6225 9.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9872 9.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7085 9.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9324 10.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1271 10.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0916 9.5936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2247 9.8415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3524 9.6130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9016 10.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7685 10.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3653 10.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3310 9.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6956 9.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8914 10.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6408 10.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8356 10.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7941 8.9823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9272 9.2302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0549 9.0017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6040 9.7825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4710 9.5349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0678 9.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0334 8.8392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 9.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1194 9.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3433 9.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5381 10.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9114 8.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2126 8.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5187 8.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4965 8.3711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6296 8.6190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7574 8.3904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3065 9.1713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1734 8.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7703 9.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7359 8.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1006 8.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 9.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 9.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 9.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 7.7598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3321 8.0077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4599 7.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0090 8.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8759 8.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4728 8.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4384 7.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8031 7.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5243 8.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7482 8.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9430 8.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3163 7.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6176 7.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9236 7.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9015 7.1486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0346 7.3964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1623 7.1679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7115 7.9488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5784 7.7011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1752 7.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 7.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5055 7.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 8.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 7.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 8.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 8.7548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3676 8.3704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8167 8.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8959 9.2213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7413 9.5092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2397 9.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 8.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 8.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6325 8.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 8.9529 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 65 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 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 102119 1 0 0 0 0 M END > LMISSP0504AM04 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260711 > - > - > Active (generated by computational methods) > - $$$$