Accord 08271317182D 96100 0 0 0 0 0 0 0 0999 V2000 18.7189 7.2574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9873 7.6787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2555 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1417 6.5259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2959 6.5259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4507 7.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5296 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5296 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7980 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3856 8.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5795 8.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0611 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3237 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5863 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8488 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1114 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3740 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6366 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8992 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1618 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6870 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9496 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 6.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5178 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7804 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0430 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5682 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8307 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0933 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3559 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6185 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8811 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1437 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4063 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 7.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4555 9.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7865 9.6786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8462 9.9475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9002 9.6996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4111 10.5465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3514 10.2779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9142 10.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9615 9.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1878 9.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8855 10.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2976 10.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4242 10.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2164 9.9858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2761 10.2546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3301 10.0068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8410 10.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7813 10.5850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3441 10.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3914 9.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 10.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8300 11.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7275 10.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8541 11.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3154 12.1251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3751 12.3940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4290 12.1461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9400 12.9930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8803 12.7244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4430 12.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4904 11.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 12.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9290 13.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8264 12.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9531 13.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1801 12.7707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4098 12.1680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0543 11.2570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0817 11.3591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8517 11.9620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3905 11.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8207 12.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 10.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6295 11.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2075 12.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4131 12.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6744 11.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3433 10.8707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0155 10.0873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1039 9.0423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4636 9.7692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5322 9.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2655 11.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3809 9.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6594 8.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7913 10.5527 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 87 88 1 1 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 87 96 1 0 0 0 0 82 87 1 0 0 0 0 76 72 1 0 0 0 0 M END > LMISSP0502AU02 > > Fucalpha1-2Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C66H121NO27 > 1359.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260325 > - > - > Active (generated by computational methods) > - $$$$