Accord 08271317182D 134141 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6853 7.3937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0300 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7190 6.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9616 6.3615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2755 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2755 5.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6204 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0419 8.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3202 8.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9605 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3002 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6399 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9797 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3194 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6591 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9988 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3385 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6782 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0180 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3577 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6974 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0371 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3768 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7165 5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0562 6.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3695 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7092 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0489 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3886 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7283 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0680 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4077 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7475 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0872 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4269 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7666 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4461 7.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7858 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 9.2032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 9.7210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 9.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 9.4595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3622 9.7002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5151 9.4783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 10.2366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9192 9.9961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 10.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 9.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8772 9.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0674 10.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 10.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 10.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 8.8658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1597 9.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3126 8.8846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8747 9.6430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7167 9.4024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3251 9.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2629 8.7268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6747 9.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4040 9.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5639 9.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7818 9.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1444 8.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 8.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7630 8.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7991 8.2722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9572 8.5129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1101 8.2910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6722 9.0493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5141 8.8088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1226 9.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0604 8.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4722 8.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6623 9.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3613 9.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5793 9.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5966 7.6785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7547 7.9193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9075 7.6973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4697 8.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3116 8.2151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9201 8.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8579 7.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2697 7.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 8.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1588 8.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3768 8.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 7.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0319 7.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 7.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 7.9535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5579 8.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7108 7.9723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2729 8.7307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1149 8.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7234 8.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6612 7.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0729 8.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 9.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 8.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 9.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 7.8146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8200 7.1560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0845 7.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1691 7.1397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7335 7.7983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2449 7.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 7.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 6.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1691 6.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 7.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 7.7761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5403 7.0157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8090 6.8072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1274 6.1613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2780 7.0155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9241 6.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 7.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6737 6.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3832 5.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0093 7.2241 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 97125 1 0 0 0 0 M END > LMISSP0504AW02 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O41 > 1912.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260789 > - > - > Active (generated by computational methods) > - $$$$