Mol:FL3FECNS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.3202   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6513   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    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 
   -2.6775    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1775    1.3088    0.0000 C   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 
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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 
 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 
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 15 23  1  0  0  0  0 
 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  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.1618     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   -2.6775    0.4428 
S  SKP  8 
ID	FL3FECNS0012 
KNApSAcK_ID	C00003893 
NAME	Nuchensin;5,6,3'-Trihydroxy-7,4'-dimethoxyflavone;5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	25782-24-5 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c(OC)1 
M  END