Accord 08271317192D 122128 0 0 0 0 0 0 0 0999 V2000 21.6576 7.8073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9106 8.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1634 7.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0895 7.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2257 7.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4049 8.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4432 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4432 5.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6962 7.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3173 8.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4942 8.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9436 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1907 7.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4377 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6847 7.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9318 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4101 8.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6571 7.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9041 8.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1512 7.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3981 8.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6453 7.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8922 8.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1392 7.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9318 5.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1392 7.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3142 6.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4892 7.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6641 6.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 7.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 6.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1140 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2962 5.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4783 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6605 5.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8427 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 5.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2070 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3892 5.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4100 10.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7269 10.2799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7667 10.5544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8007 10.3013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3013 11.1661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2615 10.8918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8150 11.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8844 10.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0732 10.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 10.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2276 11.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3358 11.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0814 10.5935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1212 10.8680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1552 10.6149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6558 11.4798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6160 11.2054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1695 11.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2389 10.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4277 10.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6446 12.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5821 11.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6903 11.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5869 10.9150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8004 10.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4374 9.3693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4442 9.4736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2305 10.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7595 9.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2200 10.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8520 8.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9825 9.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5937 11.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7826 10.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8535 8.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8934 8.2766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9273 8.0235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4280 8.8883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3881 8.6139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9416 8.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0111 7.8435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1999 8.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8912 8.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3543 8.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4624 9.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8759 7.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2095 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4410 7.6328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 8.3156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2479 8.5902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2818 8.3371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7825 9.2019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7426 8.9276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2961 9.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3656 8.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7712 9.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 9.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8169 9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 8.1133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3681 7.2462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5342 7.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7569 6.2718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9287 7.2459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5251 6.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 7.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3799 6.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 5.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 7.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9614 11.7795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2747 12.5045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3144 12.7785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3248 13.7771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0115 13.0521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7584 13.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1556 12.0719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 13.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5318 14.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9719 12.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3848 13.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9320 11.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 11.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5576 12.1807 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 59 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 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 82 88 1 0 0 0 0 99100 1 1 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 99108 1 0 0 0 0 81 99 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 60109 1 0 0 0 0 M END > LMISSP0505DS01 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261700 > - > - > Active (generated by computational methods) > - $$$$