Accord 08271317182D 128135 0 0 0 0 0 0 0 0999 V2000 24.3797 8.8233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7638 9.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1476 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7358 8.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0236 8.2074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9959 9.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3784 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3784 7.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7625 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0991 9.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4204 9.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1419 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5211 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9002 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2793 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6584 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0376 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7958 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1749 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5541 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9332 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3123 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6914 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0706 8.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5265 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9056 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2847 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6638 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0430 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4221 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8012 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1803 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5595 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9386 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3177 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6968 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0761 9.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4552 8.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4367 10.8619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6450 11.0883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8484 10.8796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4367 11.5927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2284 11.3665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8602 11.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7420 10.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2486 11.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9941 11.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0250 11.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2896 11.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4308 11.1205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6391 11.3469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8425 11.1382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4308 11.8513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2225 11.6251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8543 11.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7361 10.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2427 11.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4215 12.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0191 11.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2837 12.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9882 12.9218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1965 13.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3999 12.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9882 13.6525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7799 13.4263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4117 13.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2935 12.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8001 13.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9789 14.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5765 13.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8411 13.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1068 13.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4583 12.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1589 11.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3400 11.9983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9884 12.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6000 12.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8042 12.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6763 11.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9593 12.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2879 13.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6191 12.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9829 11.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3344 11.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0351 10.3338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2162 10.4197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8645 10.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4762 10.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6804 10.9694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5524 9.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8355 10.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1640 11.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4952 11.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8591 10.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2106 9.5222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9112 8.7551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0923 8.8411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7407 9.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3523 9.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5566 9.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4286 8.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 9.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0402 10.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3714 9.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7353 8.4510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0868 7.9436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7874 7.1765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9685 7.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6169 7.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2285 7.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4327 7.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3048 6.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 7.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9164 8.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2476 8.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 6.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9629 6.3650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6636 5.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8447 5.6839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4930 6.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1047 6.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 6.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1809 5.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 5.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7925 6.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 6.5354 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 70 74 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 81 85 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 92 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 103107 1 0 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 121120 1 1 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122127 1 0 0 0 0 118127 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 123128 1 0 0 0 0 114118 1 0 0 0 0 M END > LMISSP0502AY01 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C82H147NO43 > 1833.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260356 > - > - > Active (generated by computational methods) > - $$$$