Accord 08271317182D 101105 0 0 0 0 0 0 0 0999 V2000 18.4787 7.3127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7271 7.7455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9751 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9132 6.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0442 6.5610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2307 7.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2568 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2568 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5052 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1363 8.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3081 8.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7479 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9903 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2326 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4749 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7173 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9596 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2020 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4443 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6866 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1713 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4136 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2172 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4595 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7018 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9442 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4289 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9135 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1559 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6406 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8829 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 7.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 7.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2356 10.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5482 9.8003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5821 10.0766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6101 9.8219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1076 10.6921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0737 10.4161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6244 10.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7006 9.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8781 10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5675 10.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0459 10.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1485 11.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8801 10.1159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9139 10.3922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9419 10.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4394 11.0077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4056 10.7317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9563 10.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0324 9.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 10.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4281 11.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3777 10.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4803 11.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8993 12.3140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9332 12.5903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9612 12.3356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4587 13.2058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4248 12.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9756 13.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0517 12.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 12.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4474 13.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3970 13.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 13.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2245 11.6328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2584 11.9091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2864 11.6544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7839 12.5246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7500 12.2486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3007 12.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3768 11.4733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7726 12.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7222 12.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8248 12.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2408 11.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5765 11.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 11.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 13.5074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0690 14.2369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1027 14.5126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1132 15.5174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8042 14.7880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5496 15.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9492 13.8016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 15.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3215 15.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7705 14.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1798 15.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 13.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8906 13.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 13.9111 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 71 88 1 0 0 0 0 M END > LMISSP0502BC01 > > GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C68H123N3O28 > 1429.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260388 > - > - > Active (generated by computational methods) > - $$$$