Accord 08271317182D 130136 0 0 0 0 0 0 0 0999 V2000 23.7773 7.3277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0201 7.7637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2628 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2149 6.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3395 6.5706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5347 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5463 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5463 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7893 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4323 8.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5981 8.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0265 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2633 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5002 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7370 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9739 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2106 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4476 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6843 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9213 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1580 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3948 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6317 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8685 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1054 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3422 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5790 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8159 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2895 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4993 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7361 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9729 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2097 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4466 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6834 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9202 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1571 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6308 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8676 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1044 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3413 7.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 7.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5401 10.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8474 9.8349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8738 10.1133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8942 9.8566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3878 10.7336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3614 10.4553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9087 10.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9931 9.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1565 10.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8435 10.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3411 10.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4368 11.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1507 10.1529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1771 10.4313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1975 10.1747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6912 11.0515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6648 10.7734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2120 11.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2966 9.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4600 10.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6798 11.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6445 11.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7402 11.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1469 12.3680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.1733 12.6465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1937 12.3898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6874 13.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6610 12.9885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2082 13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2927 12.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4561 12.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6760 13.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6406 13.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7363 13.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 12.0654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7932 12.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8136 12.0871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3073 12.9641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2809 12.6859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8281 12.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9126 11.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0760 12.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2959 13.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2605 12.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3562 13.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7754 11.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1137 11.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3345 11.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6634 13.9414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6899 14.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7103 13.9632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2040 14.8401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1776 14.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7248 14.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8092 13.7808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9726 14.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6597 14.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 14.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2529 15.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6722 13.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0104 13.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2312 13.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4075 13.5345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7055 14.0641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0822 12.7175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2189 11.8490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5166 12.3784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5980 11.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3549 14.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4695 12.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7694 11.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8418 13.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 14.2594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2706 14.9946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2968 15.2723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3073 16.2849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0038 15.5499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7471 16.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 14.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 15.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5879 16.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 15.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3822 16.0418 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 2 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 111110 1 1 0 0 0 110112 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 111119 1 0 0 0 0 103110 1 0 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 120129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 125130 1 0 0 0 0 104120 1 0 0 0 0 82 78 1 0 0 0 0 M END > LMISSP0502BI07 > > Fucalpha2-3(Galbeta1-4)GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C88H157N3O37 > 1848.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260442 > - > - > Active (generated by computational methods) > - $$$$