Mol:FLIAE9GS0001

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FLIAE9GS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.3115   -1.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6520   -0.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7262   -1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
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 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
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 21 22  1  0  0  0  0 
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 23 24  1  1  0  0  0 
 24 19  1  1  0  0  0 
 23 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
 19 28  1  0  0  0  0 
 20 18  1  0  0  0  0 
 10 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
  9 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1 ^OCH3 
M  SBV   1  34    0.6333    0.3656 
S  SKP  5 
ID	FLIAE9GS0001 
FORMULA	C22H22O9 
EXACTMASS	430.126382302 
AVERAGEMASS	430.40468000000004 
SMILES	COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)cccc2)O 
M  END
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