Mol:FL5FECNS0005

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FL5FECNS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.8838   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3414   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4399    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983   -0.7269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -1.1394    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 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1 ^OCH3 
M  SBV   1 25   -7.2141    3.4423 
S  SKP  8 
ID	FL5FECNS0005 
KNApSAcK_ID	C00004680 
NAME	Patuletin;3,5,7,3',4'-Pentahydroxy-6-methoxyflavone;6-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one 
CAS_RN	519-96-0 
FORMULA	C16H12O8 
EXACTMASS	332.05321735999996 
AVERAGEMASS	332.26168 
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(O)1 
M  END
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