Mol:FLIAAFNI0001

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FLIAAFNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -0.6928    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6928    0.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9178    2.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054    0.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6086   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2028   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4752   -0.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3413   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2034    1.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9178    0.8325    0.0000 C   0  0  0  0  0  0  0  0  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 
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  8 11  1  0  0  0  0 
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  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 25 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29    2.2034     1.245 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    1.8461    0.0089 
S  SKP  8 
ID	FLIAAFNI0001 
KNApSAcK_ID	C00009878 
NAME	Piscerythrinetin;5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylisoflavone 
CAS_RN	126484-16-0 
FORMULA	C22H22O6 
EXACTMASS	382.141638436 
AVERAGEMASS	382.40648000000004 
SMILES	c(c(OC)3)(OC)cc(cc3CC=C(C)C)C(=C2)C(=O)c(c1O2)c(O)cc(c1)O 
M  END
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