Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 20.7918 7.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0443 7.7317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2965 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2239 6.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3597 6.5538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5396 7.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5766 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5766 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8291 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4513 8.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6276 8.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0761 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3226 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5692 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8157 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3087 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5553 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8018 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0483 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2948 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5414 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7879 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0344 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2810 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5275 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5428 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7893 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0358 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2823 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5289 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7754 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0219 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2684 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5150 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7615 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2546 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 7.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7477 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5446 10.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8609 9.7752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9001 10.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9335 9.7966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4338 10.6620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3946 10.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9478 10.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0179 9.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2056 9.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8967 10.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3613 10.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4689 10.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2130 10.0890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2523 10.3637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2856 10.1105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7859 10.9758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7467 10.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2999 10.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3701 9.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5577 10.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7747 11.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7135 10.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8210 11.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2488 12.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2880 12.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3214 12.2964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8217 13.1618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7824 12.8873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3357 13.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4058 12.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5934 12.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8104 13.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7492 13.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 13.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5943 11.5975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6335 11.8723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6668 11.6190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1672 12.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1279 12.2099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6811 12.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7513 11.4389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 11.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1559 12.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0947 12.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2023 12.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 11.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9499 10.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1808 11.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5186 13.4488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5579 13.7235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5912 13.4703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0915 14.3357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0523 14.0612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6055 14.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6757 13.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8633 13.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 14.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 14.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1267 14.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5404 13.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8742 12.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 13.0793 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 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 M END > LMISSP0502BD02 > > GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260397 > - > - > Active (generated by computational methods) > - $$$$