Mol:FL3FAADS0026

Latest revision as of 09:00, 14 March 2009

 
 
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  40  41 
M  SBL   1  1  45 
M  SMT   1 ^ CH2OH 
M  SBV   1  45    0.6877   -0.5888 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  42  43  44 
M  SBL   2  1  48 
M  SMT   2 ^ COOH 
M  SBV   2  48    0.5640   -0.5716 
S  SKP  5 
ID	FL3FAADS0026 
FORMULA	C27H28O17 
EXACTMASS	624.1326494699999 
AVERAGEMASS	624.50102 
SMILES	OCC(O1)C(O)C(O)C(C(c(c2O)c(cc(O3)c(C(C=C3c(c4)cc(OC(C5O)OC(C(O)C5O)C(O)=O)c(c4)O)=O)2)O)1)O 
M  END