Mol:FL7AADGL0018

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FL7AADGL0018.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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 48 50  1  0  0  0  0
 43 48  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  44  45
M  SBL   1  1  49
M  SMT   1 ^ CH2OH
M  SBV   1  49    0.5474   -0.5380
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  46  47
M  SBL   2  1  51
M  SMT   2  OCH3
M  SBV   2  51    0.0057   -0.6975
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  48  49  50
M  SBL   3  1  54
M  SMT   3  COOH
M  SBV   3  54   -0.5933    0.4738
S  SKP  5
ID	FL7AADGL0018
FORMULA	C31H35O19
EXACTMASS	711.1772539379999
AVERAGEMASS	711.5982
SMILES	c(c12)(OC(O5)C(C(O)C(O)C5CO)O)cc(O)cc([o+1]c(c(c4)ccc(O)c4OC)c(OC(O3)C(O)C(C(O)C3COC(CC(O)=O)=O)O)c2)1
M  END

</pre>

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