Mol:FL5FFCNS0032

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.2827   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7264   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1701   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1701    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7264    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6138   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0575    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0655    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4986    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -1.4484    1.0455 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    0.1527   -0.6761 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25     -2.64      0.77 
S  SKP  8 
ID	FL5FFCNS0032 
KNApSAcK_ID	C00005060 
NAME	5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one 
CAS_RN	54087-33-1 
FORMULA	C19H16O8 
EXACTMASS	372.08451748799996 
AVERAGEMASS	372.32554 
SMILES	c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)c1 
M  END