Mol:FL5FF9NI0003

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FL5FF9NI0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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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
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  1 20  1  0  0  0  0
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 24 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29   -0.8558    1.5581
S  SKP  8
ID	FL5FF9NI0003
KNApSAcK_ID	C00004918
NAME	3,5,7-Trihydroxy-8-methoxyflavone 3-angelate
CAS_RN	122585-70-0
FORMULA	C21H18O7
EXACTMASS	382.10525293
AVERAGEMASS	382.36342
SMILES	COc(c13)c(O)cc(c1C(=O)C(OC(=O)C(C)=CC)=C(O3)c(c2)cccc2)O
M  END

</pre>

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