Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 24.2930 7.1620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5914 7.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8896 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6986 6.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8874 6.4605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 7.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1524 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1524 5.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4508 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9734 8.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2004 8.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7440 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0367 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3295 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6223 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9151 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2079 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5007 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7934 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0863 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3790 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6717 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9646 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2573 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5501 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8429 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1357 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4284 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7213 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0140 6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3068 6.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1821 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4748 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7676 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0604 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3531 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6460 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9387 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2315 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5243 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8171 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1099 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4026 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6954 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3580 9.4854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4558 9.7434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5480 9.5056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0788 10.3182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9810 10.0604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5615 10.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5664 9.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8645 9.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5744 10.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8889 10.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0508 10.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9324 9.7801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0302 10.0381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1224 9.8003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6532 10.6129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5554 10.3551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1359 10.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1408 9.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4389 9.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6426 11.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4633 10.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6252 10.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5006 9.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5984 9.4020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6906 9.1641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2214 9.9768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1236 9.7190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7040 9.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7090 8.9950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0070 9.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7170 9.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0314 9.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1934 10.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 8.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8954 8.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1733 8.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 8.5078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1665 8.7658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2588 8.5280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7895 9.3406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6918 9.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2722 9.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2771 8.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5752 8.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7790 9.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5996 9.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7616 9.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 7.8717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7347 8.1296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8269 7.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3577 8.7045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2599 8.4467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8404 8.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 7.7227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 8.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8533 8.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1678 8.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3298 9.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7183 7.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0318 7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 7.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3595 8.9071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9520 8.2015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1637 8.4080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1828 8.1840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7876 8.8898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2641 8.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 8.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 7.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1828 7.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 8.6833 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 108117 1 0 0 0 0 102108 1 0 0 0 0 M END > LMISSP0504AK04 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O32 > 1659.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260695 > - > - > Active (generated by computational methods) > - $$$$