Mol:FLIA2LNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.4203   -1.6709    0.0000 C   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 
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  6  1  2  0  0  0  0 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  26  27 
M  SBL   5  1  28 
M  SMT   5  OCH3 
M  SVB   5 28    0.6762   -1.1857 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26    2.2825    0.3591 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24    -2.997    0.4285 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.6398    1.5982 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20    1.9253    -0.877 
S  SKP  8 
ID	FLIA2LNS0005 
KNApSAcK_ID	C00009429 
NAME	6,7,3',4',5'-Pentamethoxyisoflavone 
CAS_RN	58523-19-6 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	COc(c1OC)c(cc(C(C2=O)=COc(c3)c2cc(OC)c3OC)c1)OC 
M  END