Mol:FLIA2LNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543   -1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9703    0.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    0.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -0.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.5982    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28    0.6762   -1.1857
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    2.2825    0.3591
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24    -2.997    0.4285
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.6398    1.5982
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    1.9253    -0.877
S  SKP  8
ID	FLIA2LNS0005
KNApSAcK_ID	C00009429
NAME	6,7,3',4',5'-Pentamethoxyisoflavone
CAS_RN	58523-19-6
FORMULA	C20H20O7
EXACTMASS	372.120902994
AVERAGEMASS	372.3686
SMILES	COc(c1OC)c(cc(C(C2=O)=COc(c3)c2cc(OC)c3OC)c1)OC
M  END

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