Mol:FL5FEAGS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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    4.1561    0.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1561    1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4279    1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6998    1.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.3008   -2.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  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 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
 30 31  1  0  0  0  0 
  2 30  1  0  0  0  0 
 32 33  1  0  0  0  0 
 26 32  1  0  0  0  0 
 34 35  1  0  0  0  0 
  8 34  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    0.6895    0.3996 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2 ^ CH2OH 
M  SBV   2  36    0.4883   -0.4723 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  38 
M  SMT   3  OCH3 
M  SBV   3  38   -0.7605    0.4305 
S  SKP  5 
ID	FL5FEAGS0012 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	O=C(C=3OC)c(c(OC3c(c4)ccc(c4)O)2)c(c(c(c2)OC(C(O)1)OC(CO)C(C1O)O)OC)O 
M  END