Accord 08271317182D 115120 0 0 0 0 0 0 0 0999 V2000 24.2751 7.2155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5555 7.6298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8358 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6910 6.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8591 6.4959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 7.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1054 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1054 5.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3858 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9473 8.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1545 8.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6609 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9356 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2104 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4850 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7597 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0344 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3092 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5838 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4080 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6826 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9573 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2320 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5068 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7815 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0561 6.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3309 6.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1102 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3849 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6596 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9343 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2090 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4837 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7584 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0331 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3078 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5825 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8572 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1319 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4067 7.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6814 7.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3417 9.5978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4166 9.8623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4858 9.6184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0046 10.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9298 10.1874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4995 10.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5300 9.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7849 9.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4874 10.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8607 10.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0014 10.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8291 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9040 10.1645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9732 9.9206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4920 10.7539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4172 10.4896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9870 10.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0174 9.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2723 10.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4812 11.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3481 10.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4888 11.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8229 11.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8978 11.3073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9670 11.0634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4858 11.8967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4110 11.6324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9808 11.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0112 10.8900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2661 11.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4750 12.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3419 11.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4826 12.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8810 10.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2024 10.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4619 10.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3040 10.3904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3788 10.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4480 10.4111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9669 11.2444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8920 10.9800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4618 11.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4923 10.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7471 10.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9560 11.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8229 11.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9636 11.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7850 9.7381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8599 10.0027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9291 9.7588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4479 10.5921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3730 10.3277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9428 10.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9733 9.5854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 9.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9307 10.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 10.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4446 10.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8431 9.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 9.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 9.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 9.8454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0001 9.1218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1918 9.3335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1860 9.1038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8062 9.8276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2693 9.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6087 9.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 8.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 8.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 9.6159 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 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 88 92 1 0 0 0 0 106107 1 1 0 0 0 107108 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 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 106115 1 0 0 0 0 99106 1 0 0 0 0 M END > LMISSP0503AG03 > > Fucalpha1-3GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O32 > 1631.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260534 > - > - > Active (generated by computational methods) > - $$$$