Mol:FL3FE9GS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  3 19  1  0  0  0  0 
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 31 33  1  0  0  0  0 
 25 31  1  0  0  0  0 
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    0.6002    0.3465 
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    0.6978   -0.6216 
S  SKP  5 
ID	FL3FE9GS0006 
FORMULA	C22H20O11 
EXACTMASS	460.100561482 
AVERAGEMASS	460.3876 
SMILES	COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cccc1 
M  END