Accord 08271317182D 129135 0 0 0 0 0 0 0 0999 V2000 24.2919 7.1650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5896 7.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8871 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6979 6.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8859 6.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9946 7.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 5.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4479 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9720 8.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1982 8.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7404 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0324 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3246 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6166 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9088 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2008 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4929 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7850 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0770 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3692 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6612 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2454 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5375 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8296 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7058 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5821 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4584 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1789 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4710 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7630 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0552 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3472 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6394 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9314 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2235 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5156 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8077 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0998 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3918 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6840 7.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9760 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3571 9.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4536 9.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5446 9.5119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0747 10.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9782 10.0675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5581 10.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5644 9.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8601 9.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5696 10.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8873 10.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0481 10.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9267 9.7868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0232 10.0451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1142 9.8070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6443 10.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5478 10.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1276 10.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1340 9.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4297 9.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6337 11.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4569 10.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6177 10.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1392 11.8424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2357 12.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3267 11.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8568 12.6764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7603 12.4183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3401 12.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3465 11.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6422 12.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8462 13.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6694 12.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8302 12.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7026 11.2054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7991 11.4637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8900 11.2256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4202 12.0394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3236 11.7812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9035 12.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9098 11.0562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2055 11.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4096 12.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2328 12.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3936 12.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7827 10.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0966 10.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3734 10.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 10.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3624 10.8267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4534 10.5885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9835 11.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8870 11.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4669 11.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4732 10.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7689 10.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9729 11.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 11.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9569 11.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 10.8709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2376 10.2918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8959 9.4164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9614 9.5145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7013 10.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2581 9.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6324 10.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 8.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 9.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0431 10.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2799 10.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9787 10.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9872 9.6032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2025 9.3794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4711 8.6863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6327 9.6029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2529 9.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 10.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0573 8.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7456 8.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 9.8269 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 2 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 91 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 105109 1 0 0 0 0 120121 1 1 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 120129 1 0 0 0 0 104120 1 0 0 0 0 M END > LMSP0502AK08 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C88H158N2O37 > 1835.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260251 > - > - > Active (generated by computational methods) > - $$$$