Mol:FLIA1LNS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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    0.4196   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4753   -1.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.2034    0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
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  3  4  1  0  0  0  0 
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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    2.2034    0.3535 
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   -0.2949   -0.6069 
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    1.8461   -0.8826 
S  SKP  8 
ID	FLIA1LNS0009 
KNApSAcK_ID	C00009413 
NAME	7-Hydroxy-2',4',5'-trimethoxyisoflavone 
CAS_RN	29096-94-4 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c(OC)1)(OC)cc(c(C(C3=O)=COc(c32)cc(O)cc2)c1)OC 
M  END