Mol:FLIAAKNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3617    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    1.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115   -1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3413   -1.5220    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    1.8461   -0.7282
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.2034    0.5079
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22     0.597   -1.0369
S  SKP  8
ID	FLIAAKNS0001
KNApSAcK_ID	C00009849
NAME	Panchovillin;5,7-Dihydroxy-3',4',5'-trimethoxyisoflavone
CAS_RN	89505-45-3
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c12)(O)cc(O)cc1OC=C(c(c3)cc(c(c(OC)3)OC)OC)C2=O
M  END

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