Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 23.1313 7.2563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4002 7.6772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6689 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5539 6.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7087 6.5252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8627 7.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9428 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9428 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2117 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7982 8.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9927 8.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4752 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7383 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0014 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2645 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5276 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7906 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0537 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5799 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8430 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1060 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3692 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6322 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8954 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1584 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4216 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6846 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9476 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2108 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4738 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9317 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1948 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4578 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7210 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9840 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2471 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5102 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2995 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5625 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8256 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0887 7.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3518 7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8684 9.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1991 9.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2586 9.9472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3124 9.6993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8232 10.5464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7637 10.2777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3264 10.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3739 9.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5998 9.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2974 10.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7101 10.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8365 10.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6282 9.9855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6877 10.2545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7414 10.0065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2523 10.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1928 10.5849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7554 10.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8030 9.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0289 10.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2413 11.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1392 10.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2656 11.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7265 12.1254 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7860 12.3943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8397 12.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3506 12.9935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2911 12.7248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8537 12.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9013 11.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1272 12.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3396 13.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2375 12.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3639 13.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1491 11.4622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2086 11.7312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2623 11.4832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7732 12.3304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7137 12.0616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2763 12.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3239 11.3070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5497 11.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 12.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 12.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7865 12.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1915 11.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5183 10.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7655 11.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 10.7991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6312 11.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6849 10.8201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1957 11.6672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1362 11.3985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6989 11.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7465 10.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9723 11.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 12.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0826 11.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 11.9936 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 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 89 96 1 0 0 0 0 M END > LMSP0502AE05 > > Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O28 > 1500.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260200 > - > - > Active (generated by computational methods) > - $$$$