Mol:FL5FCEGL0004

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FL5FCEGL0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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  1 53  1  0  0  0  0
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 47 55  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  51  52
M  SBL   1  1  57
M  SMT   1  OCH3
M  SBV   1  57   -0.7990   -0.4613
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  53  54
M  SBL   2  1  59
M  SMT   2 ^ OCH3
M  SBV   2  59    0.6758   -0.4280
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  55  56
M  SBL   3  1  61
M  SMT   3 ^ CH2OH
M  SBV   3  61    0.5838   -0.5422
S  SKP  5
ID	FL5FCEGL0004
FORMULA	C35H44O21
EXACTMASS	800.23750847
AVERAGEMASS	800.71126
SMILES	O(C(CO)6)C(C(C(C(O)6)O)O)Oc(c12)cc(cc1OC(c(c5)ccc(OC)c(O)5)=C(OC(O3)C(C(C(O)C(COC(C4O)OC(C)C(C4O)O)3)O)O)C2=O)OC
M  END

</pre>

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