Accord 08271317182D 104108 0 0 0 0 0 0 0 0999 V2000 21.7194 7.2577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9877 7.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2558 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1423 6.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2964 6.5262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4513 7.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5299 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5299 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7983 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3861 8.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5799 8.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0612 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3237 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5862 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8487 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1113 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3737 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6363 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8987 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1613 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4238 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6862 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9488 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2113 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4738 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9989 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2613 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5239 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7863 6.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5181 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7805 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0430 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3056 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5680 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8306 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0931 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3556 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6181 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8807 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1431 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4056 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6681 7.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9306 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4566 9.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7871 9.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8463 9.9496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8997 9.7016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4104 10.5490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3512 10.2802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9137 10.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9616 9.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1869 9.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8844 10.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2979 10.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4240 10.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2149 9.9879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2741 10.2569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3274 10.0089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8381 10.8563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7790 10.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3414 10.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3894 9.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6146 10.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8271 11.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7257 10.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8518 11.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3121 12.1285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3713 12.3975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4247 12.1495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9353 12.9970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8762 12.7281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4387 12.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4866 11.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7118 12.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9243 13.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8229 12.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9490 13.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7334 11.4651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7926 11.7341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8459 11.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3566 12.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2975 12.0648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8599 12.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9079 11.3098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1331 11.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 12.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2442 12.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3703 12.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7755 11.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 10.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3493 11.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1547 10.8017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2138 11.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2672 10.8228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7779 11.6702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7187 11.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2812 11.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 10.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 12.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6655 11.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 11.9967 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 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 87 94 1 0 0 0 0 M END > LMISSP0502AE04 > > Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260199 > - > - > Active (generated by computational methods) > - $$$$