Mol:FL3FCBNS0001

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FL3FCBNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.2249    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2249   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7244   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2240   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2240    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7244    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7235   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2231   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2231    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7235    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2770    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8074    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3377    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3377    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8074    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2770    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7244   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7235   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5821    0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0821    1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8676    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5821    0.9131    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 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  3 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    1.8676    1.3256 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -2.5821    0.7372 
S  SKP  8 
ID	FL3FCBNS0001 
KNApSAcK_ID	C00001016 
NAME	Apigenin 7,4'-dimethyl ether;5-Hydroxy-4',7-dimethoxyflavone;Genkwanin 4'-methyl ether;7-O-Methylacacetin;Acacetin 7-methyl ether;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	5128-44-9 
FORMULA	C17H14O5 
EXACTMASS	298.084123558 
AVERAGEMASS	298.29006 
SMILES	COc(c3)ccc(c3)C(=C1)Oc(c2)c(c(O)cc(OC)2)C(=O)1 
M  END
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