Accord 08271317182D 105109 0 0 0 0 0 0 0 0999 V2000 22.0082 7.2941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2634 7.7229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5183 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4388 6.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5777 6.5492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7534 7.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7974 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7974 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0525 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6689 8.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8482 8.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3021 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5513 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8006 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0498 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2990 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5481 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7974 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0466 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2958 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5450 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0434 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2926 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5418 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0402 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2894 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5387 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7672 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0165 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2656 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5148 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7640 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0133 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5116 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7608 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0101 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2593 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5085 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7577 7.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0069 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7586 10.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0772 9.7601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1195 10.0339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1560 9.7815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6579 10.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6156 10.3704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1703 10.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2370 9.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4305 9.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1226 10.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 10.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6897 10.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4411 10.0729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4835 10.3467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5199 10.0943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0219 10.9569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9795 10.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5342 10.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 9.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7944 10.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0107 11.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9432 10.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0537 11.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4865 12.2518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5288 12.5256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5653 12.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0672 13.1357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0249 12.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5796 13.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6462 12.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8397 12.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0560 13.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9885 13.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0990 13.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 11.5765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8862 11.8504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9226 11.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4246 12.4605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3822 12.1869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9369 12.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0036 11.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 11.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4133 12.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 12.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 12.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 11.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2015 10.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4350 11.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2011 10.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2435 11.1751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2800 10.9227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7819 11.7853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7396 11.5117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2942 11.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 10.7432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 12.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 11.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8137 12.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2261 10.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 10.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 10.5330 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 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 85 92 1 0 0 0 0 M END > LMISSP0502AD03 > > GalNAcbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C72H131N3O28 > 1485.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260190 > - > - > Active (generated by computational methods) > - $$$$