Mol:FL5FEGNS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -1.3715   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6429    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2828    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7315   -0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3631    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6346    0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2745    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7614    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4847    2.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.5429    1.8175    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 
  9 10  1  0  0  0  0 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29    1.8838   -0.0612 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27     0.183   -1.0246 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25     2.241     1.127 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.9555   -0.7269 
S  SKP  8 
ID	FL5FEGNS0009 
KNApSAcK_ID	C00004829 
NAME	5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone 
CAS_RN	30250-30-7 
FORMULA	C19H18O9 
EXACTMASS	390.095082174 
AVERAGEMASS	390.34082 
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(c(OC)c(O)2)OC)OC)=O 
M  END