Mol:084a FLIG

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 38  0  0  0  0  0  0  0  0999 V2000 
   -2.1819    1.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1819    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.7532    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6757    1.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0389    2.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4195    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0389   -0.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1352    1.6288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.0232    2.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4195   -0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1499   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8803    0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8803   -2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6107   -1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6107   -0.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0232   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4357   -1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0 
  3  4  1  0 
  4  5  2  0 
  5  6  1  0 
  6  1  2  0 
  4  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  3 11  1  0 
 12  8  1  0 
  7 13  2  0 
 12 14  2  0 
  1  2  1  0 
 14 15  1  0 
  9 15  1  0 
  1 16  1  0 
 16 17  1  0 
 17 18  1  0 
 18 19  2  0 
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 17 21  1  0 
 12 22  1  0 
 22 23  2  0 
 23 24  1  0 
 24 25  2  0 
 25 14  1  0 
  9 26  1  0 
  8 27  1  0 
 23 28  1  0 
 28 29  2  0 
 29 30  1  0 
 30 31  1  0 
 31 24  1  0 
 30 32  1  0 
 30 33  1  0 
S  SKP  5 
ID	084a FLIG 
FORMULA	C25H22O7 
EXACTMASS	434.136553058 
AVERAGEMASS	434.43798000000004 
SMILES	c(C1(O)2)(c5)c(cc(O6)c(C=CC(C)(C)6)5)OC1([H])Oc(c3)c(c(O)c(C=4)c(OC(C)(C)C4)3)C2=O 
M  END