Mol:FLIAEANS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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   -2.1039    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1213    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.6600    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.8103    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7330   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5991   -1.6763    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 
  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 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
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 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
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  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
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 21 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 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    2.1039   -0.8826 
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   -2.8184     0.423 
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    -1.984   -0.1502 
S  SKP  8 
ID	FLIAEANS0010 
KNApSAcK_ID	C00009470 
NAME	5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone 
CAS_RN	53505-61-6 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c3OC)(O)cc(c1c3OC)OC=C(c(c2)ccc(OC)c2)C1=O 
M  END