Mol:FL3FFANS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
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   -0.0950    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5950    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1618    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    1.0418    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 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
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  6 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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  SBV   1 23   -4.2037    3.1598 
S  SKP  8 
ID	FL3FFANS0004 
KNApSAcK_ID	C00003851 
NAME	Takakin;5,7,8-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	51876-19-8 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)ccc(c3)C(=C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1 
M  END