Mol:FL5FAAGL0037

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 23 21  1  0  0  0  0 
 30 31  1  1  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 31 36  1  0  0  0  0 
 32 37  1  0  0  0  0 
 28 30  1  0  0  0  0 
 33 38  1  0  0  0  0 
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 42 41  1  1  0  0  0 
 42 43  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  49  50 
M  SBL   1  1  55 
M  SMT   1  CH2OH 
M  SBV   1  55   -0.0971    1.4268 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  51  52 
M  SBL   2  1  57 
M  SMT   2  CH2OH 
M  SBV   2  57   -0.7053   -0.3016 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  3  53  54  55 
M  SBL   3  1  60 
M  SMT   3 ^ COOH 
M  SBV   3  60    0.5939   -0.6567 
S  SKP  5 
ID	FL5FAAGL0037 
FORMULA	C33H38O22 
EXACTMASS	786.1854728999999 
AVERAGEMASS	786.64162 
SMILES	C(O)(C(O)6)C(C(OC(C(O)=O)6)Oc(c5)cc(O1)c(c(O)5)C(C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)=C(c(c2)ccc(O)c2)1)=O)O 
M  END