Mol:FL5F1CNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9630   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -1.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -1.8890    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  8 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  SVB   1 23    0.4611   -1.0952
S  SKP  8
ID	FL5F1CNS0002
KNApSAcK_ID	C00004580
NAME	Fisetin 3-methyl ether
CAS_RN	20870-06-8
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COC(C(=O)2)=C(Oc(c3)c(ccc(O)3)2)c(c1)cc(O)c(O)c1
M  END

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