Mol:FL5FDCNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.2827    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -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 
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    0.4986    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0655    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6325    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6325    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
   -1.7264   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2552    0.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6400    0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2552    1.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6400    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1401    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8085   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6745   -1.4911    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 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  8 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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	FL5FDCNS0004 
KNApSAcK_ID	C00005047 
NAME	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone 
CAS_RN	93655-95-9 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)c1 
M  END