Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 23.5154 7.2987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7688 7.7286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0220 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9469 6.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0838 6.5522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2623 7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3017 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3017 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5552 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1753 8.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3527 8.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8030 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0505 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2980 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5454 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7930 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0404 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2879 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5354 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7829 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0303 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2778 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5253 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7727 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0203 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2677 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5152 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7626 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2576 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 6.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2692 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7641 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0116 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2591 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5066 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7540 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0016 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4965 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2389 7.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4863 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2676 10.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5845 9.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6245 10.0454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6586 9.7924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1593 10.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1193 10.3828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6729 10.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7422 9.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 9.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6226 10.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0853 10.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1936 10.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9395 10.0845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9795 10.3590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0136 10.1059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5143 10.9707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4743 10.6964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0279 10.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0972 9.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2862 10.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5030 11.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4403 10.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5486 11.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9776 12.2688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0175 12.5433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0516 12.2902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5523 13.1549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5123 12.8806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0659 13.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1352 12.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3243 12.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5411 13.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4784 13.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5866 13.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3259 11.5919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3659 11.8664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4000 11.6133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9007 12.4780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8607 12.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4142 12.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4836 11.4334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6726 11.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8894 12.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8267 12.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9350 12.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3484 11.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 10.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 11.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8580 13.4546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1714 14.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2112 14.4534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2216 15.4519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9082 14.7271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6552 15.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0523 13.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6843 14.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4286 15.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8685 14.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2814 15.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8287 13.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 13.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4543 13.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6860 14.0982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7259 14.3727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7600 14.1197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2607 14.9844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2207 14.7101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7743 14.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8436 13.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0327 14.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 15.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1868 14.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 15.3175 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 2 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 79 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 M END > LMISSP0502BL07 > > GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260466 > - > - > Active (generated by computational methods) > - $$$$