Mol:FL5FECGS0059

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FL5FECGS0059.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  61  62
M  SBL   1  1  68
M  SMT   1 ^ CH2OH
M  SBV   1  68    0.4201   -0.7277
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  63  64
M  SBL   2  1  70
M  SMT   2 ^ OCH3
M  SBV   2  70    0.7172    0.2609
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  65  66
M  SBL   3  1  72
M  SMT   3 ^ OCH3
M  SBV   3  72    0.5929    0.3423
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  67  68
M  SBL   4  1  74
M  SMT   4 ^ CH2OH
M  SBV   4  74    0.6518   -0.6518
S  SKP  5
ID	FL5FECGS0059
FORMULA	C43H48O25
EXACTMASS	964.2484670859999
AVERAGEMASS	964.82622
SMILES	C(OCC(O3)C(O)C(O)C(OC(C7O)OCC(O)7CO)C3OC(=C5c(c6)cc(O)c(c6)O)C(c(c4O)c(O5)cc(O)c(OC)4)=O)(O2)C(C(O)C(C2CO)O)OC(C=Cc(c1)cc(OC)c(O)c1)=O
M  END

</pre>

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