Mol:FL3FECNS0024

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FL3FECNS0024.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.0463   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.0454   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0454    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5458    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5449   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0445   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0445    0.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5449    0.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4557    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9860    0.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5164    0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5164    1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9860    1.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4557    1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5449   -1.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7607   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7460   -0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3824   -0.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2485   -0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0463    1.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7607    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5457   -1.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5457   -2.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4035    0.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9034    1.6032    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 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  2 18  1  0  0  0  0 
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 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
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  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  1 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
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   -2.4035    0.7371 
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   -2.0102   -0.8929 
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    2.0463    1.3254 
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     1.689    0.2008 
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   -2.7607   -0.3358 
S  SKP  8 
ID	FL3FECNS0024 
KNApSAcK_ID	C00013596 
NAME	Sinensetin;5,6,7,3',4'-Pentamethoxyflavone;Pedalitin permethyl ether;2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one 
CAS_RN	2306-27-6 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	c(C(=O)1)(c3OC)c(cc(c3OC)OC)OC(c(c2)cc(c(c2)OC)OC)=C1 
M  END
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