Mol:FLIAEANS0009

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FLIAEANS0009.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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    0.2579    4.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9650    4.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7611   -0.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7270   -0.2754    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 
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 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.4612    1.4439 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    2.1039   -1.0314 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.8184    0.2742 
S  SKP  8 
ID	FLIAEANS0009 
KNApSAcK_ID	C00009469 
NAME	7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone 
CAS_RN	13186-08-8 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(C(C3=O)=COc(c23)cc(c(c2O)OC)OC)(c1)ccc(OC)c1 
M  END
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