Mol:FLIAEAGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -0.5610    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5610   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1801   -0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9213   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9213    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1801    0.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9905   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2756   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1801   -1.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6618   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6618   -1.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3704   -1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0789   -1.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0789   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3704   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.7138   -0.7285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7135   -1.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9208   -2.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0337   -2.7161    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 
 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 
 20 19  1  1  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 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 
 32 33  1  0  0  0  0 
 15 32  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    0.7232    0.4176 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SBV   2  36   -0.8420    0.4861 
S  SKP  5 
ID	FLIAEAGS0009 
FORMULA	C23H24O10 
EXACTMASS	460.136946988 
AVERAGEMASS	460.43066 
SMILES	COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O 
M  END