Mol:FL5FCAGS0011

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
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 53 54  1  0  0  0  0
 26 53  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  49  50
M  SBL   1  1  55
M  SMT   1 ^ CH2OH
M  SBV   1  55    0.8828    0.1140
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  51  52
M  SBL   2  1  57
M  SMT   2 ^ OCH3
M  SBV   2  57    0.7145   -0.4125
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  53  54
M  SBL   3  1  59
M  SMT   3  CH2OH
M  SBV   3  59   -0.2811   -0.7328
S  SKP  5
ID	FL5FCAGS0011
FORMULA	C34H42O20
EXACTMASS	770.226943784
AVERAGEMASS	770.6852799999999
SMILES	OC(C(O)6)C(OC(C6O)C)OC(C5O)C(OC(C5O)CO)OC(=C(c(c3)ccc(OC(O4)C(O)C(C(C4CO)O)O)c3)2)C(c(c(O2)1)c(O)cc(c1)OC)=O
M  END

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