Mol:FL5F1CNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4197   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1944   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956    0.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.7683    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
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    2.0624    1.0956
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23     1.212    1.6718
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.7769    0.4113
S  SKP  8
ID	FL5F1CNS0005
KNApSAcK_ID	C00004583
NAME	Fisetin 7,3',4'-trimethyl ether
CAS_RN	58544-90-4
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	O(c23)C(=C(C(c2ccc(OC)c3)=O)O)c(c1)cc(OC)c(OC)c1
M  END

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