Mol:FL3FECNS0018

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FL3FECNS0018.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0021    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0021   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4458   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8895   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8895    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4458    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2231   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2231    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332    0.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3332   -1.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7792    0.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3462    0.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9131    0.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9131    1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3462    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7792    1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5198    0.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8619    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4666    1.3513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4795   -0.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2182   -1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5794   -1.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0650    0.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8619    0.7617    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 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  3  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1 ^OCH3 
M  SBV   1 28   -6.6809    3.4769 
S  SKP  8 
ID	FL3FECNS0018 
KNApSAcK_ID	C00003998 
NAME	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone 
CAS_RN	97640-84-1 
FORMULA	C18H12O7 
EXACTMASS	340.058302738 
AVERAGEMASS	340.28368 
SMILES	c(c2OC)c(O3)c(C(=O)C=C3c(c5)cc(c4c5)OCO4)c(c21)OCO1 
M  END
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