Mol:FL5FFCGL0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 56 61  0  0  0  0  0  0  0  0999 V2000 
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  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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 16 17  2  0  0  0  0 
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  3 18  1  0  0  0  0 
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  4  3  1  0  0  0  0 
  1 20  1  0  0  0  0 
 21  8  1  0  0  0  0 
 16 22  1  0  0  0  0 
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 24 25  1  1  0  0  0 
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 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 23 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 24 21  1  0  0  0  0 
 32 33  1  1  0  0  0 
 33 34  1  1  0  0  0 
 35 34  1  1  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 32  1  0  0  0  0 
 33 38  1  0  0  0  0 
 34 39  1  0  0  0  0 
 35 40  1  0  0  0  0 
 29 32  1  0  0  0  0 
  6 41  1  0  0  0  0 
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 43 44  1  1  0  0  0 
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 36 55  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  51  52 
M  SBL   1  1  57 
M  SMT   1  CH2OH 
M  SBV   1  57   -0.1375    0.9183 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  59 
M  SMT   2 ^ CH2OH 
M  SBV   2  59    0.1373   -0.8442 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  55  56 
M  SBL   3  1  61 
M  SMT   3  CH2OH 
M  SBV   3  61   -0.6967   -0.1568 
S  SKP  5 
ID	FL5FFCGL0003 
FORMULA	C33H40O23 
EXACTMASS	804.196037586 
AVERAGEMASS	804.6569 
SMILES	OC(C(CO)1)C(O)C(O)C(OC(C6O)C(OC(C6O)CO)OC(C(=O)4)=C(c(c5)ccc(c(O)5)O)Oc(c24)c(OC(O3)C(C(C(O)C3CO)O)O)c(cc(O)2)O)O1 
M  END