Mol:FL5FCAGL0002

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  37  38 
M  SBL   1  1  42 
M  SMT   1 ^ CH2OH 
M  SBV   1  42    0.0133    0.7750 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  39  40 
M  SBL   2  1  44 
M  SMT   2 ^ OCH3 
M  SBV   2  44    0.6991   -0.4036 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  41  42 
M  SBL   3  1  46 
M  SMT   3  CH2OH 
M  SBV   3  46    0.0000    0.6394 
S  SKP  5 
ID	FL5FCAGL0002 
FORMULA	C27H30O15 
EXACTMASS	594.15847029 
AVERAGEMASS	594.5181 
SMILES	C(OC(C3=O)=C(c(c5)ccc(c5)O)Oc(c4)c(c(O)cc4OC)3)(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO 
M  END