Mol:FL3FF9GS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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 30 32  1  0  0  0  0 
 26 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  30  31  32 
M  SBL   1  1  35 
M  SMT   1  COOH 
M  SBV   1  35   -0.1045   -1.0898 
S  SKP  5 
ID	FL3FF9GS0002 
FORMULA	C21H18O11 
EXACTMASS	446.084911418 
AVERAGEMASS	446.36102 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)cccc3)O2)1)O)O)O 
M  END