Mol:FL5FGCNS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7710   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6371   -1.8182    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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 25 26  1  0  0  0  0 
  8 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
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    0.1038   -1.0246 
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   -2.6775    0.4428 
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   -1.4859    0.7182 
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    2.1618     1.127 
S  SKP  8 
ID	FL5FGCNS0011 
KNApSAcK_ID	C00004796 
NAME	5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone 
CAS_RN	142846-75-1 
FORMULA	C19H18O9 
EXACTMASS	390.095082174 
AVERAGEMASS	390.34082 
SMILES	O(C(c(c3)cc(O)c(OC)c3)=1)c(c2OC)c(c(c(c2OC)O)O)C(C1OC)=O 
M  END