Mol:FL3FAAGS0027

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  39  40  41 
M  SBL   1  1  45 
M  SMT   1 ^COOH 
M  SBV   1  45    0.5604   -0.3973 
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   -0.7758    0.4479 
S  SKP  5 
ID	FL3FAAGS0027 
FORMULA	C27H26O17 
EXACTMASS	622.116999406 
AVERAGEMASS	622.48514 
SMILES	C(Oc(c2)ccc(C(=C5)Oc(c3)c(C5=O)c(cc3OC(O4)C(C(C(O)C4C(O)=O)O)O)O)c2)(O1)C(C(C(O)C1C(O)=O)O)O 
M  END