Mol:FL3FAFGS0002

 
 
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  29  30 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SBV   1  33    0.0000   -0.7645 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  31  32  33 
M  SBL   2  1  36 
M  SMT   2 ^ COOH 
M  SBV   2  36    0.6657   -0.6296 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  38 
M  SMT   3  OCH3 
M  SBV   3  38   -0.6030   -0.3482 
S  SKP  5 
ID	FL3FAFGS0002 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	c(c4)(c(OC)cc(c4)C(O3)=CC(c(c23)c(cc(c2)OC(O1)C(O)C(C(O)C1C(O)=O)O)O)=O)OC 
M  END