Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 24.1655 7.3046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4168 7.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6680 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5983 6.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7327 6.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9145 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9485 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9485 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1998 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8244 8.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9996 8.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4455 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6909 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9363 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1816 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4270 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6723 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9177 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1630 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4084 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6537 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8991 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1444 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6351 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8805 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1259 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6166 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9130 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1584 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4037 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6491 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8944 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1398 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3851 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6305 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8758 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1212 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3666 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8573 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 7.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9198 10.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2348 9.7832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2723 10.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3038 9.8047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8032 10.6717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7657 10.3967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3181 10.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3903 9.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5745 10.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2650 10.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7343 10.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8402 11.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5801 10.0977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6176 10.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6491 10.1192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1485 10.9862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1110 10.7111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6634 10.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7356 9.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9198 10.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1372 11.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0796 10.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1855 11.3202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6103 12.2877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6477 12.5629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6793 12.3092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1787 13.1762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1412 12.9012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6936 13.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7658 12.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9500 12.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1674 13.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1098 13.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2157 13.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9490 11.6090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9864 11.8842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0179 11.6305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5173 12.4975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4799 12.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0322 12.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1044 11.4501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2886 11.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5060 12.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4484 12.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 12.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9689 11.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3033 10.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5329 11.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 13.4638 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9069 13.7390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9384 13.4853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4378 14.3523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4004 14.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9527 14.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 13.3049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2091 13.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8996 14.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3689 14.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4748 14.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8894 13.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 12.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4534 13.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2147 13.7782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2522 14.0534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2837 13.7997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7831 14.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7456 14.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2980 14.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 13.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 15.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7142 14.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 15.0007 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 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 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 M END > LMISSP0502BG03 > > Galbeta1-4GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260422 > - > - > Active (generated by computational methods) > - $$$$