Mol:FL5FE9NS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
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   -1.4634   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9071   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7618    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2055    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2055   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3179    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8849    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4519    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4519    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8849    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3179    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6290   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6278   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4939   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
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  3  4  1  0  0  0  0 
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 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    0.9721   -0.7106 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -1.3435   -1.0073 
S  SKP  8 
ID	FL5FE9NS0010 
KNApSAcK_ID	C00005044 
NAME	3,5-Dimethoxy-6,7-methylenedioxyflavone;7,9-Dimethoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one 
CAS_RN	72357-36-9 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c12)c(O3)c(C(C(=C(c(c4)cccc4)3)OC)=O)c(c1OCO2)OC 
M  END