Mol:FL3F9CGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
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   -3.9310   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.7058   -0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5965    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2089    0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9543    1.0117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7043    0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0921    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8766    1.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.6514    1.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5827    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2165    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9310    0.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
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  6  1  2  0  0  0  0 
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  7  8  1  0  0  0  0 
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  9 10  1  0  0  0  0 
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  7 11  2  0  0  0  0 
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 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 CH2OH 
M  SBV   1 32   -7.2509    3.6005 
S  SKP  8 
ID	FL3F9CGS0001 
KNApSAcK_ID	C00004119 
NAME	3',4'-Dihydroxyflavone 4'-glucoside 
CAS_RN	- 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(C(=O)4)(c(OC(=C4)c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)1)cccc1 
M  END