Mol:FL5FECNS0007

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FL5FECNS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -1.4067   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9523    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    2.6397    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
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  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
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 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  SVB   1 25    1.6687    1.7424
S  SKP  8
ID	FL5FECNS0007
KNApSAcK_ID	C00004682
NAME	Quercetagetin 3'-methyl ether
CAS_RN	57093-48-8
FORMULA	C16H12O8
EXACTMASS	332.05321735999996
AVERAGEMASS	332.26168
SMILES	COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(O)2)1
M  END

</pre>

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