Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 23.8384 7.2932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0938 7.7219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3491 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2687 6.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4080 6.5487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5832 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6280 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6280 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8835 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4992 8.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6789 8.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1334 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3829 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6325 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8820 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1315 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3810 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6306 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8801 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1296 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3791 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6287 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8782 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1277 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3772 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6268 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1258 6.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3754 6.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5983 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8479 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0974 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3469 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5964 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8460 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0955 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3450 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5945 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8441 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0936 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3430 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5926 7.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8421 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5885 10.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9073 9.7582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9501 10.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9869 9.7796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4891 10.6418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4463 10.3683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0012 10.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0674 9.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2617 9.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9539 10.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4096 10.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5204 10.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2728 10.0709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3155 10.3446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3524 10.0922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8546 10.9545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8118 10.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3667 10.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4329 9.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6272 10.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8433 11.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7750 10.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8859 11.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3194 12.2488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3621 12.5225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3990 12.2702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9012 13.1324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8584 12.8589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4133 13.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4795 12.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6738 12.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8900 13.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8216 13.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9325 13.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6783 11.5739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7210 11.8476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7579 11.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2600 12.4575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2173 12.1840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7721 12.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8384 11.4158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0326 11.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 12.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1805 12.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2914 12.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7036 11.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0362 10.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 11.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2088 13.4313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5242 14.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5668 14.4272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5771 15.4228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2618 14.7001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0095 15.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4055 13.7228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 14.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7836 15.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2193 14.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6339 15.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1825 13.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3474 13.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 13.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0460 14.0730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0887 14.3467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1256 14.0944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6277 14.9566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5850 14.6831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1398 14.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2061 13.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 14.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6165 15.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5482 14.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6591 15.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 13.3195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8285 14.1840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0061 13.0823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4116 12.4546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4024 13.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 12.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 14.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8523 12.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 11.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2338 13.5564 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 75 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 118117 1 1 0 0 0 117119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 118126 1 0 0 0 0 113117 1 0 0 0 0 M END > LMISSP0502BN03 > > GalNAcbeta1-3(Fucalpha2-3Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260478 > - > - > Active (generated by computational methods) > - $$$$