Accord 08271317182D 136143 0 0 0 0 0 0 0 0999 V2000 24.3403 7.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6854 7.3932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0304 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9617 6.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2757 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2757 5.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6209 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0419 8.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3204 8.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9612 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3011 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6411 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9810 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3209 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6608 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0008 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3407 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6806 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0205 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3605 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7004 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0403 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3802 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7202 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0601 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 5.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3700 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7100 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0499 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3898 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7297 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0697 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4096 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7495 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0894 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4294 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7693 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1092 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4492 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7891 7.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 9.2030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 9.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 9.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 9.4592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 9.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 9.4780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 10.2364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9192 9.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 10.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 9.3202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 9.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0674 10.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 10.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 10.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 8.8656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1598 9.1063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3127 8.8844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8748 9.6427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7167 9.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3252 9.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 8.7266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 9.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4041 9.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5639 9.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 9.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1445 8.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 8.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7631 8.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 8.2719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9572 8.5127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1101 8.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6723 9.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5142 8.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1227 9.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0605 8.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4723 8.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6624 9.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 9.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5794 9.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5967 7.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7547 7.9190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9076 7.6971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4697 8.4554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3117 8.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9202 8.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 7.5393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2697 7.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9991 8.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 8.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 8.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 7.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 7.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3581 7.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 7.9533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5580 8.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7109 7.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2730 8.7305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1150 8.4899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7235 8.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6613 7.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 8.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 9.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 8.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 9.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2004 7.8143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8201 7.1558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0846 7.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1692 7.1395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7336 7.7981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2450 7.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 7.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 6.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1692 6.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 7.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5324 7.7759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5403 7.0155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8091 6.8069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1275 6.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2781 7.0152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9242 6.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 7.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 6.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 5.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0094 7.2239 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 3 30 2 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 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 74 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 100106 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 112117 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 99127 1 0 0 0 0 M END > LMISSP0504AW03 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C90H161N3O41 > 1940.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260790 > - > - > Active (generated by computational methods) > - $$$$