Mol:FL3FA9GS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.0461   -0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6550   -1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3562   -0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6550    0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7585    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0574    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0587   -1.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4595    0.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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 29 30  2  0  0  0  0 
 29 31  1  0  0  0  0 
 25 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  29  30  31 
M  SBL   1  1  34 
M  SMT   1 ^COOH 
M  SBV   1  34    0.8276   -0.6937 
S  SKP  5 
ID	FL3FA9GS0004 
FORMULA	C21H18O10 
EXACTMASS	430.089996796 
AVERAGEMASS	430.36162 
SMILES	C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)cccc2)1)(O)C(O)C(C(C(O)=O)O1)O 
M  END