Mol:FL5F1CNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -1.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.6439    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
 16 20  1  0  0  0  0
 15 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  SBV   1 23   -6.3693    3.6075
S  SKP  8
ID	FL5F1CNS0004
KNApSAcK_ID	C00004582
NAME	Fisetin 4'-methyl ether
CAS_RN	57396-72-2
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1
M  END

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